Horizon 2020 Call: H2020-MSCA-ITN-2015 Topic: MSCA-ITN-2015-ETN Action: MSCA-ITN …etn-nanotrans.eu/eotools_files/files/H2020-MSCA-ITN-2015... · 2017. 2. 20. · H2020-ITN.pdf -

European Commission - Research - Participants Proposal Submission Forms

Research Executive Agency

Page 1 of 40H2020-ITN.pdf - Ver 1.83 20141204 Last saved 13/01/2015 at 22:45

Horizon 2020Call: H2020-MSCA-ITN-2015Topic: MSCA-ITN-2015-ETN

Action: MSCA-ITN-ETNProposal Number: 674979

Proposal Acronym: NANOTRANS

Table of contents

Section Title Action

1 General information

2 Participants & contacts

3 Budget

4 Ethics

5 Call-specific questions

How to fill in the forms?

The administrative forms must be filled in for each proposal using the templates available in the submission system. Some data fields in the administrative forms are pre-filled based on the previous steps in the submission wizard.

This proposal version was submitted by Jure Dobnikar on 13/01/2015 16:46:06 CET. Issued by the Participant Portal Submission Service.



Page 2 of 40

Proposal ID 674979 Acronym NANOTRANS

H2020-ITN.pdf - Ver 1.83 20141204 Last saved 13/01/2015 at 22:45

1 - General informationTopic MSCA-ITN-2015-ETN Type of action MSCA-ITN-ETN

Call identifier H2020-MSCA-ITN-2015 Acronym NANOTRANS

Proposal title TRANSPORT OF SOFT MATTER AT THE NANOSCALE

Note that for technical reasons, the following characters are not accepted in the Proposal Title and will be removed: < > " &

Duration in months 48

Panel PHY - Physics (PHY)

Please select up to 5 descriptors (and at least 1) that best characterise the subject of your proposal, in descending order of relevance. Note that descriptors will be used to support REA services in identifying the best qualified evaluators for your proposal.

Descriptor 1 Soft condensed matter Add

Descriptor 2 Nanophysics: nanoelectronics, nanophotonics, nanomagne Add Remove

Descriptor 3 Fluid dynamics (physics) Add Remove

Descriptor 4 Colloid chemistry Add Remove

Descriptor 5 Intelligent materials, self-assembled materials Add Remove

Free keywords Colloidal interactions, non-equilibrium phenomena, electrokinetics, polymers, fluid flow, transport in nanoconfinement, thermodynamic gradients, diffusiophoresis, heterogeneous mixtures

Abstract

We propose a Multi-Partner ITN-ETN network on Transport of Soft Matter at the Nanoscale. The scientific topic, which is the focus of the proposal, is an emerging field of science and technology. Challenges such as design of environmentally friendly engineering materials or understanding the principles of biological organization crucially depend on fundamental understanding of transport of fluids and colloids at the nanoscale. Topics we will study within NANOTRANS are at the core of modern technology (i.e. active design of “smart” nanomaterials, nanofluidic and “lab on a chip” devices, sustainable nanocompounds, energy storage, contaminants dissemination in environment, oil recovery, drug delivery and disease treatment). The main objective of the ITN network is to train students. We will offer a balanced and timely supradisciplinary research training program providing a range of skills in various scientific and technological disciplines and fostering creativity and entrepreneurial mindset. Both, private and academic sectors are strongly represented in the network and will substantially contribute to the NANOTRANS training program, which will offer the participating fellows unparalleled education unavailable in standard academic programs at Universities, as well as excellent career opportunities both in academia and industry. NANOTRANS research will result in improved fundamental understanding of soft matter systems out of equilibrium, novel experimental and theoretical methods for nanoscale exploration, as well as in designing advanced materials, products and applications. In turn, it will contribute to issues connected to energy production and storage, sustainable development, and novel disease treatment strategies. The NANOTRANS research, training and outreach activities will have a substantial and lasting impact on the society, environment, international scientific community, industry and on the European Union.




Page 3 of 40



Remaining characters 54

Has this proposal (or a very similar one) been submitted in the past 2 years in response to a call for proposals under the 7th Framework Programme, Horizon 2020 or any other EU programme(s)? Yes No

Please give the proposal reference or contract number.

641722

Declarations

1) The coordinator declares to have the explicit consent of all applicants on their participation and on the content of this proposal.

2) The information contained in this proposal is correct and complete.

3) This proposal complies with ethical principles (including the highest standards of research integrity — as set out, for instance, in the European Code of Conduct for Research Integrity — and including, in particular, avoiding fabrication, falsification, plagiarism or other research misconduct).

4) The coordinator confirms:

- to have carried out the self-check of the financial capacity of the organisation on https://ec.europa.eu/research/participants/portal/desktop/en/organisations/lfv.html or to be covered by a financial viability check in an EU project for the last closed financial year. Where the result was “weak” or “insufficient”, the coordinator confirms being aware of the measures that may be imposed in accordance with the H2020 Grants Manual (Chapter on Financial capacity check); or

- is exempt from the financial capacity check being a public body including international organisations, higher or secondary education establishment or a legal entity, whose viability is guaranteed by a Member State or associated country, as defined in the H2020 Grants Manual (Chapter on Financial capacity check); or

- as sole participant in the proposal is exempt from the financial capacity check.

5) The coordinator hereby declares that each applicant has confirmed:

- they are fully eligible in accordance with the criteria set out in the specific call for proposals; and

- they have the financial and operational capacity to carry out the proposed action.

The coordinator is only responsible for the correctness of the information relating to his/her own organisation. Each applicant remains responsible for the correctness of the information related to him and declared above. Where the proposal to be retained for EU funding, the coordinator and each beneficiary applicant will be required to present a formal declaration in this respect.




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According to Article 131 of the Financial Regulation of 25 October 2012 on the financial rules applicable to the general budget of the Union (Official Journal L 298 of 26.10.2012, p. 1) and Article 145 of its Rules of Application (Official Journal L 362, 31.12.2012, p.1) applicants found guilty of misrepresentation may be subject to administrative and financial penalties under certain conditions.

Personal data protection

Your reply to the grant application will involve the recording and processing of personal data (such as your name, address and CV), which will be processed pursuant to Regulation (EC) No 45/2001 on the protection of individuals with regard to the processing of personal data by the Community institutions and bodies and on the free movement of such data. Unless indicated otherwise, your replies to the questions in this form and any personal data requested are required to assess your grant application in accordance with the specifications of the call for proposals and will be processed solely for that purpose. Details concerning the processing of your personal data are available on the privacy statement. Applicants may lodge a complaint about the processing of their personal data with the European Data Protection Supervisor at any time. Your personal data may be registered in the Early Warning System (EWS) only or both in the EWS and Central Exclusion Database (CED) by the Accounting Officer of the Commission, should you be in one of the situations mentioned in: -the Commission Decision 2008/969 of 16.12.2008 on the Early Warning System (for more information see the Privacy Statement), or -the Commission Regulation 2008/1302 of 17.12.2008 on the Central Exclusion Database (for more information see the Privacy Statement) .




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2 - Administrative data of participating organisations

CoordinatorPIC999977172

Legal nameTHE CHANCELLOR, MASTERS AND SCHOLARS OF THE UNIVERSITY OF CAMBRIDGE

Short name: THE CHANCELLOR, MASTERS AND SCHOLARS OF THE UNIVERSITY OF CAMBRIDGE

Town CAMBRIDGE

Postcode CB2 1TN

Street The Old Schools, Trinity Lane

Country United Kingdom

Webpage www.cam.ac.uk

Legal Status of your organisation

Research and Innovation legal statuses

Public body .................................................... yes Legal person ...............................yes

Non-profit ...................................................... yes

International organisation .................................. no

International organisation of European interest ...... no

Secondary or Higher education establishment ....... yes

Research organisation ..................................... yes

SME self-declared status................................... unknown

SME self-assesment ........................................ unknown

SME validation sme.......................................... unknown

Based on the above details of the Beneficiary Registry the organisation is not an SME (small- and medium-sized enterprise) for the call.

Academic Sector .........................yes

Nace code 853 -

Enterprise Data




Page 6 of 40



Department(s) carrying out the proposed work

Department name Department of Chemistry

Street Lensfield Road

Town Cambridge

Same as organisation address

Department 1


Postcode CB21EW

Department name Department of Physics

Street J J Thomson Avenue

Town Cambridge


Department 2


Postcode CB3 0HE

Dependencies with other proposal participants

Character of dependence Participant




Page 7 of 40



Person in charge of the proposal

Town Cambridge Post code CB21EW

Street Lesfield Road

Website http://www-frenkel.ch.cam.ac.uk/index.html

First name Daan

E-Mail [email protected]

Position in org. Professor, Head of the Department

Department Department of Chemistry

Phone 2 +xxx xxxxxxxxx Fax +xxx xxxxxxxxx

Sex Male FemaleTitle Prof.


Last name Frenkel

Phone +441223 336377


Other contact persons

First Name Last Name E-mail Phone

Ulrich Keyser [email protected]

Howard Jones [email protected]

Jure Dobnikar [email protected]

Participant




Page 8 of 40



PIC999997930

Legal nameCENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE

Short name: CNRS Address of the organisation

Town PARIS

Postcode 75794

Street Rue Michel -Ange 3

Country France

Webpage www.cnrs.fr




Non-profit ...................................................... yes



Secondary or Higher education establishment ....... no


SME self-declared status................................... 2013 - no


SME validation sme.......................................... 2013 - no



Nace code 721 -

Enterprise Data




Page 9 of 40




Department name �Délégation Paris B

Street 16 rue Pierre et Marie Curie

Town Paris


Department 1

Country France

Postcode 75005






Page 10 of 40




Town Paris Post code 75005

Street 4 place Jussieu

Website http://www.phenix.cnrs.fr

First name Benjamin


Position in org. Chargé de Recherche CNRS

Department Laboratoire PHENIX, UPMC, Case Courrier 51

Phone 2 +xxx xxxxxxxxx Fax +33144273228

Sex Male FemaleTitle Dr.


Last name Rotenberg

Phone +33144272203

Country France



Emmanuel Trizac [email protected]

Lyderic Bocquet [email protected]

Julie Zittel [email protected]

Participant




Page 11 of 40



PIC999978627

Legal nameJOHANNES GUTENBERG UNIVERSITAET MAINZ

Short name: JOHANNES GUTENBERG UNIVERSITAET MAINZ Address of the organisation

Town MAINZ

Postcode 55099

Street SAARSTRASSE 21

Country Germany

Webpage www.uni-mainz.de




Non-profit ...................................................... yes










Nace code - Not applicable

Enterprise Data




Page 12 of 40




Department name Institute of physics, department 08

Street Staudingerweg 7

Town Mainz


Department 1

Country Germany

Postcode 55128






Page 13 of 40




Town Mainz Post code 55128

Street Staudingerweg 7-9

Website http://www.komet331.physik.uni-mainz.de/schmid.php

First name Friederike


Position in org. University professor

Department department 08: physics, mathematics, and computer science

Phone 2 +4961313920495 Fax +4961313920496



Last name Schmid

Phone +4961313920365

Country Germany



Marialore Sulpizi [email protected] +4961313923641

Julia Dore [email protected]

Participant




Page 14 of 40



PIC999986387

Legal nameUNIVERSITAT DE BARCELONA

Short name: UB Address of the organisation

Town BARCELONA

Postcode 08007

Street GRAN VIA DE LES CORTS CATALANES 585

Country Spain

Webpage http://www.ub.edu




Non-profit ...................................................... yes










Nace code 853 -

Enterprise Data




Page 15 of 40





Street Diagonal, 647

Town Barcelona


Department 1

Country Spain

Postcode 08028






Page 16 of 40




Town Barcelona Post code 08028

Street Diagonal, 647

Website http://www.ffn.ub.edu/~ignacio/pagonabarraga_CV.pdf

First name Ignacio


Position in org. Professor of Physics

Department Department of Physics




Last name Pagonabarraga Mora

Phone +34934021157

Country Spain



Francesc Sagues [email protected]

Participant




Page 17 of 40



PIC999968830

Legal nameUNILEVER RESEARCH AND DEVELOPMENT VLAARDINGEN BV

Short name: UNILEVER RESEARCH AND DEVELOPMENT VLAARDINGEN BV Address of the organisation

Town VLAARDINGEN

Postcode 3133 AT

Street Olivier van Noortlaan 120

Country Netherlands

Webpage www.unilever.com



Public body .................................................... no Legal person ...............................yes

Non-profit ...................................................... no




Research organisation ..................................... no





Academic Sector .........................no

Nace code 721 -

Enterprise Data




Page 18 of 40




Department name Colloids & Nanoscale Structuring


Town VLAARDINGEN


Department 1

Country Netherlands

Postcode 3133 AT






Page 19 of 40




Town VLAARDINGEN Post code 3133 AT


Website www.unilever.com

First name Krassimir


Position in org. Science Leader

Department Colloids & Nanoscale Structuring

Phone 2 +31104605058 Fax +xxx xxxxxxxxx



Last name Velikov

Phone +31611386684

Country Netherlands



Patrick Warren [email protected] +31104605748

Charlotte Smeele [email protected] +441516413352

Participant




Page 20 of 40



PIC974760373

Legal nameCORDOUAN TECHNOLOGIES SAS

Short name: COR Address of the organisation

Town PESSAC

Postcode 33600

Street CITE DE LA PHOTONIQUE, AVENUE DE CAN

Country France

Webpage www.cordouan-tech.com




Non-profit ...................................................... no




Research organisation ..................................... no

SME self-declared status................................... 2013 - yes

SME self-assesment ........................................ 2013 - yes

SME validation sme.......................................... 2009 - yes

Based on the above details of the Beneficiary Registry the organisation is an SME (small- and medium-sized enterprise) for the call.

Academic Sector .........................no

Nace code

Enterprise Data




Page 21 of 40




Department name N/A

Street CITE DE LA PHOTONIQUE, AVENUE DE CANTERA

Town PESSAC


Department 1

Country France

Postcode 33600






Page 22 of 40




Town PESSAC Post code 33600

Street CITE DE LA PHOTONIQUE, AVENUE DE CANTERANNE 11

Website www.cordouan-tech.com

First name David


Position in org. Directeur Technique- CTO

Department N/A

Phone 2 +33 (0)6 81 83 04 87 Fax +33 (0)5 47 74 74 91



Last name Jacob

Phone +33(0)5 56 15 75 39

Country France

Participant




Page 23 of 40



PIC999866883

Legal nameUNIVERSITAET WIEN

Short name: UNIVIE Address of the organisation

Town WIEN

Postcode 1010

Street UNIVERSITATSRING 1

Country Austria

Webpage www.univie.ac.at




Non-profit ...................................................... yes










Nace code 853 -

Enterprise Data




Page 24 of 40




Department name Faculty of Physics, University of Vienna

Street Boltzmanngasse 5

Town Vienna


Department 1

Country Austria

Postcode 1090






Page 25 of 40




Town Vienna Post code 1090

Street Sensengasse 8

Website http://comp-phys.univie.ac.at/homepages/homepage-likos/

First name Christos


Position in org. Professor

Department Computational Physics, Faculty of Physics




Last name Likos

Phone 43-(0)1 4277-73230

Country Austria

Participant




Page 26 of 40



PIC999980470

Legal nameFORSCHUNGSZENTRUM JUELICH GMBH

Short name: Juelich Address of the organisation

Town JULICH

Postcode 52428

Street WILHELM JOHNEN STRASSE

Country Germany

Webpage www.fz-juelich.de




Non-profit ...................................................... yes










Nace code 721 -

Enterprise Data




Page 27 of 40




Department name Institute of Complex Systems 2 / ICS-2


Town JULICH


Department 1

Country Germany

Postcode 52428






Page 28 of 40




Town JULICH Post code 52428


Website www.fz-juelich.de/ics/ics-2/EN/Home/home_node.html

First name Gerhard


Position in org. Director of Institute of Complex Systems 2

Department Institute of Complex Systems 2 / ICS-2




Last name Gompper

Phone +49 2461 61-2850

Country Germany



Jan Dhont [email protected] +492461612160

Gelinde Riese [email protected] +492461611854

Participant




Page 29 of 40



PIC999994826

Legal nameFREIE UNIVERSITAET BERLIN

Short name: FUB Address of the organisation

Town BERLIN

Postcode 14195

Street KAISERSWERTHER STRASSE 16-18

Country Germany

Webpage www.fu-berlin.de




Non-profit ...................................................... yes










Nace code 853 -

Enterprise Data




Page 30 of 40





Street Arnimallee 14

Town Berlin


Department 1

Country Germany

Postcode 14195






Page 31 of 40




Town Berlin Post code 14195

Street Arnimallee 14

Website www.physik.fu-berlin.de/en/einrichtungen/ag/ag-netz/index.html

First name Roland


Position in org. Professor

Department Department of Physics




Last name Netz

Phone +49 030 838 54781

Country Germany

Participant




Page 32 of 40



PIC999984350

Legal nameTHE CHANCELLOR, MASTERS AND SCHOLARS OF THE UNIVERSITY OF OXFORD

Short name: UOXF Address of the organisation

Town OXFORD

Postcode OX1 2JD

Street University Offices, Wellington Square


Webpage www.ox.ac.uk




Non-profit ...................................................... yes










Nace code 853 -

Enterprise Data




Page 33 of 40




Department name Department of Chemistry

Street South Parks Road

Town Oxford


Department 1


Postcode OX1 3QZ






Page 34 of 40




Town Oxford Post code OX1 3QZ

Street South Parks Road

Website http://perkin.chem.ox.ac.uk/

First name Susan


Position in org. Associate Professor

Department Department of Chemistry




Last name Perkin

Phone +44865275496




Paul Madden [email protected]

Nicole Grobert [email protected]

Gill Wells [email protected]




Page 35 of 40



3 - Budget

Researcher Number Recruiting Participant (short name) Planned start month Duration

(months)

1 CNRS 6 36

2 THE CHANCELLOR, MASTERS AND SCHOLARS OF THE UNIVERSITY O 6 36

3 COR 6 36

4 UOXF 6 36

5 FUB 6 36

6 JOHANNES GUTENBERG UNIVERSITAET MAINZ 6 36

7 CNRS 6 36


9 CNRS 6 36

10 UB 6 36


12 UB 6 36




Page 36 of 40



Researcher Number Recruiting Participant (short name) Planned start month Duration

(months)

13 Juelich 6 36

14 UNIVIE 6 36

15 UNILEVER RESEARCH AND DEVELOPMENT VLAARDINGEN BV 6 36

Total 540

Participant Number Organisation Short Name Country No of

researchersNumber of

person.months

Researcher Unit Cost

Living allowance

Mobility Allowance

Family Allowance

Institutional Unit Cost

Research, training and networking

costs

Management and overheads

TOTAL

1 THE CHANCELLOR, MAST UK 3 108 404063,64 64800,00 27000,00 194400,00 129600,00 819863,64

2 CNRS FR 3 108 372826,80 64800,00 27000,00 194400,00 129600,00 788626,80

3 JOHANNES GUTENBERG DE 1 36 110616,48 21600,00 9000,00 64800,00 43200,00 249216,48

4 UB ES 2 72 218545,92 43200,00 18000,00 129600,00 86400,00 495745,92

5 UNILEVER RESEARCH AN NL 1 36 116774,28 21600,00 9000,00 64800,00 43200,00 255374,28

6 COR FR 1 36 124275,60 21600,00 9000,00 64800,00 43200,00 262875,60

7 UNIVIE AT 1 36 117334,08 21600,00 9000,00 64800,00 43200,00 255934,08




Page 37 of 40



Participant Number Organisation Short Name Country No of

researchersNumber of

person.months

Researcher Unit Cost

Living allowance

Mobility Allowance

Family Allowance

Institutional Unit Cost

Research, training and networking

costs

Management and overheads

TOTAL

8 Juelich DE 1 36 110616,48 21600,00 9000,00 64800,00 43200,00 249216,48

9 FUB DE 1 36 110616,48 21600,00 9000,00 64800,00 43200,00 249216,48

10 UOXF UK 1 36 134687,88 21600,00 9000,00 64800,00 43200,00 273287,88

Total 15 540 1820357,64 324000,00 135000,00 972000,00 648000,00 3899357,64




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4 - Ethics

1. HUMAN EMBRYOS/FOETUSES Page

Does your research involve Human Embryonic Stem Cells (hESCs)? Yes No

Does your research involve the use of human embryos? Yes No

Does your research involve the use of human foetal tissues / cells? Yes No

2. HUMANS Page

Does your research involve human participants? Yes No

Does your research involve physical interventions on the study participants? Yes No

Does it involve invasive techniques? Yes No

3. HUMAN CELLS / TISSUES Page

Does your research involve human cells or tissues (other than from Human Embryos/Foetuses, i.e. section 1)?

Yes No

4. PERSONAL DATA (ii) Page

Does your research involve personal data collection and/or processing? Yes No

Does your research involve further processing of previously collected personal data (secondary use)?

Yes No

5. ANIMALS (iii) Page

Does your research involve animals? Yes No




Page 39 of 40



6. THIRD COUNTRIES Page

Does your research involve non-EU countries? Yes No

Do you plan to use local resources (e.g. animal and/or human tissue samples, genetic material, live animals, human remains, materials of historical value, endangered fauna or flora samples, etc.)? (v)

Yes No

Do you plan to import any material from non-EU countries into the EU? For data imports, please fill in also section 4. For imports concerning human cells or tissues, fill in also section 3.

Yes No

Do you plan to export any material from the EU to non-EU countries? For data exports, please fill in also section 4. For exports concerning human cells or tissues, fill in also section 3.

Yes No

If your research involves low and/or lower middle income countries, are benefits-sharing measures foreseen? (vii)

Yes No

Could the situation in the country put the individuals taking part in the research at risk? Yes No

7. ENVIRONMENT & HEALTH and SAFETY See legal references at the end of the section. (vi)

Page

Does your research involve the use of elements that may cause harm to the environment, to animals or plants? For research involving animal experiments, please fill in also section 5.

Yes No

Does your research deal with endangered fauna and/or flora and/or protected areas? Yes No

Does your research involve the use of elements that may cause harm to humans, including research staff? For research involving human participants, please fill in also section 2.

Yes No

8. DUAL USE (vii) Page

Does your research have the potential for military applications? Yes No

9. MISUSE Page

Does your research have the potential for malevolent/criminal/terrorist abuse? Yes No

10. OTHER ETHICS ISSUES Page

Are there any other ethics issues that should be taken into consideration? Please specify Yes No

I confirm that I have taken into account all ethics issues described above and that, if any ethics issues apply, I will complete the ethics self-assessment and attach the required documents.




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5 - Call Specific Questions

Information on partner organisations

Partner Organisation

number

PIC

Search PIC Organisation legal name Country Academic Sector

Role of

Provide training

associated

Host secondmends

1 998096827 MASSACHUSSETTS INSTITUTE OF United States Yes Yes Yes

2 986070476 GEORGETOWN UNIVERSITY NON P United States Yes Yes Yes

3 ARESIS d.o.o. Slovenia No Yes Yes

4 FLUID ANALYTICS United Kingdom No Yes Yes

5 949842334 University of Zurich Switzerland Yes Yes Yes

Open Research Data Pilot in Horizon 2020

If selected, all applicants have the possibility to participate in the Pilot on Open Research Data in Horizon 20201, which aims to improve and maximise access to and re-use of research data generated by actions. Participating in the Pilot does not necessarily mean opening up all research data. Actions participating in the Pilot will be invited to formulate a Data Management Plan in which they will determine and explain which of the research data they generate will be made open.

Yes NoWe wish to participate in the Pilot on Open Research Data in Horizon 2020 on a voluntary basis

Participation in this Pilot does not constitute part of the evaluation process. Proposals will not be evaluated favourably because they are part of the Pilot and will not be penalised for not participating.1According to article 43.2 of Regulation (EU) No 1290/2013 of the European Parliament and of the Council, of 11 December 2013, laying down the rules for participation and

dissemination in "Horizon 2020 - the Framework Programme for Research and Innovation (2014-2020)" and repealing Regulation (EC) No 1906/2006.

Data management activities

The use of a Data Management Plan (DMP) is required for projects participating in the Open Research Data Pilot in Horizon 2020, in the form of a deliverable in the first 6 months of the project. All other projects may deliver a DMP on a voluntary basis, if relevant for their research.

Are data management activities relevant for your proposed project? Yes No

A Data Management Plan will be delivered (Please note: Projects participating in the Open Research Data Pilot must include a Data Management Plan as a deliverable in the first 6 months of the project).

Data Management is part of a Work Package.

Data Management will be integrated in another way.


Part B – Page 1 of 54

START PAGE

MARIE SKŁODOWSKA-CURIE ACTIONS

Innovative Training Networks (ITN) Call: H2020-MSCA-ITN-2015

PART B

Transport of Soft Matter at the Nanoscale

“NANOTRANS”

This proposal is to be evaluated as:

[ETN]


NANOTRANS - ETN


TABLE OF CONTENTS

LIST OF PARTICIPANTS 3

SUMMARY 5

1. EXCELLENCE 5

2. IMPACT 18

3. IMPLEMENTATION 20

4. GANTT CHART 35

5. CAPACITIES OF THE PARTICIPATING ORGANISATIONS 36

6. ETHICAL ASPECTS 49

7. LETTERS OF COMMITMENT 49


NANOTRANS - ETN


LIST OF PARTICIPANTS

BENEFICIARIES

Consortium Member

Legal Entity

Short Name A

cade

mic

Non

-aca

dem

ic

Aw

ards

PhD

Cou

ntry

Dept./ Division /

Laboratory Scientist-in-Charge

University of Cambridge UCAM ✔ ✔ UK Department of Chemistry Jure Dobnikar

CNRS Paris CNRS ✔ ✔ F PHENIX (UPMC), LPTMS (UPSud), LPTENS (ENS) Benjamin Rotenberg

Johannes Gutenberg

Universität Mainz JGU ✔ ✔ D Institute of Physics Friederike Schmid

Universitat de Barcelona UB ✔ ✔ ESP Department of Fundamental Physics Ignacio Pagonabarraga

UNILEVER Research and Development

Vlaardingen B.V.

UNILEVER ✔ NL N/A Krassimir P. Velikov

CORDOUAN TECHNOLOGIES

SAS COR ✔ F N/A David Jacob

Universität Wien UNIVIE ✔ ✔ A Department of Physics Christos N. Likos

Forschungszentrum Jülich JÜLICH ✔ D Institute of Complex Systems ICS-2 Gerhard Gompper

Freie Universität Berlin FUB ✔ ✔ D Department of Physics Roland Netz

University of Oxford UOXF ✔ ✔ UK Department of Chemistry Susan Perkin

PARTNER ORGANIZATIONS

Partner

Organisation

Short Name A

cade

mic

Non

-aca

dem

ic

Aw

ards

PhD

Cou

ntry

Dept./ Division /

Laboratory Scientist in Charge

Role of Partner Organisation

Massachusetts Institute of Technology

MIT ✔ ✔ USA Dept. of Civil & Environmental

Engineering Rolland Pellenq

Host secondments Deliver specialized training Contribute to research training

Georgetown University GU ✔ ✔ USA

Institute for Soft Matter Synthesis and Metrology

Emanuela Del Gado, Peter Olmsted

Host secondments Deliver specialized training Contribute to research training

ARESIS d.o.o. ARESIS ✔ SI N/A Dušan Babić

Host secondments Deliver specialized training Contribute to research training SME company

FLUIDIC ANALYTICS FA ✔

UK N/A Tuomas Knowless*

Host secondments Deliver specialized training Contribute to research training SME company

Universität Zurich UZH ✔ ✔ CH

Dept. of Chemistry &

Dept. of Physics Madhavi Krishnan

Recruit ESR with own funding Host secondments Deliver specialized training Contribute to research training

* Prof Tuomas Knowless is also a staff member at University of Cambridge (UCAM). Since FA is a spin-off company from UCAM, their terms of cooperation are clearly defined and this connection actually represents a benefit for the proposal. Prof Knowless will actively


NANOTRANS - ETN


Data for non-academic beneficiaries:

Name

Location of research premises

(city / country)

Type of R&D activities No. of

full - time employees

No. of employees

in R&D

Web site

Annual turnover

Enterprise status

SME status

CORDOUAN TECHNOLOGIES

SAS

Bordeaux France

Developing novel nanomaterials and nanoparticles characterisation techniques

12 10 1.800.000€

Yes Yes www.cordouan-tech.com

UNILEVER Research and Development

Vlaardingen B.V.

Vlaardingen The

Netherlands

Vlaardingen R&D is the global development centre for our spreads and dressings brands, and the regional development centre for laundry, skincare, hair care and machine dishwashing products.

1000

800 156.000.000 €

Yes No

www.unilever.com

ARESIS d.o.o.

(Partner organization)

Ljubljana Slovenia

Developing optical tweezers solutions for applications in biology, medicine and other complex systems

3

2 100.000 €

Yes Yes www.aresis.com/

FLUIDIC ANALYTICS.

(Partner

organization)

Cambridge, UK

Development and launch of lab-based tools for protein characterization; Adaptation of these technologies for diagnostic applications

4 4

0 € (defined by sales

revenue)

1.600.000 M€ (defined by revenue +

investment + grant income)

Yes Yes

http://www.fluidicanalytics.com/company/


NANOTRANS - ETN


SUMMARY: NANOTRANS consortium comprises academic and private partners spanning seven EU countries. We have identified the ITN program as an ideal framework to create a collaborative research platform for training young nanoscientists with suitable scientific profiles and a specific range of skills who will be able to deal with the fundamental and technological challenges of the future. NANOTRANS will provide a rigorous, balanced, and timely supra-disciplinary training program delivered by Europe’s (and world’s) leading scientists in the field. Moreover, we will provide a unique opportunity to move between industry and academia, which is crucial to foster inter-sectorial exchange of individuals and ideas. The scientific objective of the proposal is to understand the transport of fluids and colloids at the nanoscale. This is one of the core problems of technological development whose key demands are downscaling the applications and controlling the non-equilibrium dynamics (e.g. design of “smart” nanomaterials, nanofluidics, “lab on a chip” devices, energy production and storage, drug delivery…). For this specific focus, multidisciplinary and inter-sectorial approaches that are inherently a part of soft matter research are crucial. The experimental and theoretical methods are presently at a stage where exploration of key processes is viable and our research program promises fundamental and applied breakthroughs. We will establish long-term collaborations structuring the EU research environment and bridging the gap between academic and industrial research. The impact of NANOTRANS will be broad. The overwhelming goal is to train young researchers with unique profiles, who will work across sectors and might become future leaders in the emerging and rapidly growing fields of nanoscience and nanotechnology. Our research and their future careers should have an impact on some of the core challenges of modern society: energy production and storage, novel disease treatment strategies and sustainable development. Investing in research in the emerging field of soft matter at the nanoscale is determinant for Europe’s position as the world-leading academic and technological power.

1. EXCELLENCE 1.1 QUALITY AND INNOVATIVE ASPECTS OF RESEARCH PROGRAMME 1.1.1 INTRODUCTION AND OBJECTIVES Almost all systems in nature – especially soft matter systems at nano- and microscales – operate far from thermal equilibrium. Yet, most of the theoretical and experimental studies address their equilibrium properties. This is hardly surprising since the equilibrium statistical thermodynamics provides a solid theoretical framework, while there is no proper non-equilibrium counterpart to it. Exploration of equilibrium properties of colloidal suspensions resulted in a rapid development of the field of Soft Matter in the past few decades. On the one hand, colloids in the micrometre range have been successfully used as model systems to probe fundamental questions in statistical mechanics, material science, biological and atomic physics. On the other hand, numerous applications have emerged, ranging from biomedicine, pharmaceutical and food industry, to novel smart and functional materials. Further progress along these lines largely depends on understanding soft matter systems at smaller scales (i.e. nanoscale) and far from equilibrium. Nanoscale transport at interfaces and in thermal or chemical gradients determines the efficiency of energy storage, oil recovery from porous matter and production of smart materials – technologies that are responsible for the majority of global human CO2 emissions. Furthermore, we expect that new solutions for providing sustainable sources of energy and water will emerge at the nanoscale where the behaviour of matter departs from the common expectations. The non-equilibrium physics at the nanoscale is different from its macroscopic counterpart in many ways: gradients are larger and confinement (nanochannels, surfaces, interfaces) plays a dominant role. Due to smaller numbers of particles thermal fluctuations are stronger, which fundamentally alters the thermodynamic behaviour (e.g. heat transfer). In strongly confined fluids at the molecular level, flow properties deviate from continuum hydrodynamics predictions due to the granularity of the fluid components (e.g. structuring of water at surfaces). At larger scales, the fluid flow is coupled to colloidal interactions and to thermodynamic gradients. Processes like electrokinetics, thermophoresis, diffusiophoresis etc. play a key role in biological processes and are at the core of nanotechnology.

The long-term S&T goal of the proposal is to acquire fundamental understanding of complex fluid flow in nano-confinement and to design novel materials and applications for sustainable growth.

1.1.2 STATE OF THE ART Colloidal science has seen a fast development in the last few decades; largely due to the rapid advances in experimental and fabrication techniques allowing to design particles, their detailed observation and manipulation through methods like atomic force microscopy (AFM), laser tweezers, surface force apparatus (SFA), confocal microscopy with particle tracking, particle image velocimetry, dielectric spectroscopy etc. At the same time, improved computational methods and increased computing power have enabled simulations bridging several


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length- and timescales providing deeper understanding of self-assembly1 and raising new questions related to non-equilibrium dynamics2. At the nanoscale, new fluidic functionalities benefiting from predominance of surfaces (e.g. nanofluidic transistors and diodes) can be developed3. A number of discoveries over the recent years have put forward the great potential of nanofluidics and membranes made of novel nanomaterials, such as carbon (CNT) or boron-nitride (BNT) nanotubes, as well as graphene or related materials. BNTs allow to harvest the energy contained in salinity gradients with an exceptional efficiency4 suggesting that they could be used as highly competitive membranes to harvest the chemical energy contained in the difference of salinity between sea water and river water, the so-called osmotic power or blue energy. Water transport through nanoscale pores is of fundamental importance to many natural systems, such as biological ion channels and zeolites, and affects numerous technologies, including molecular level drug delivery, energy efficient nanofiltration, and chemical detection. Understanding the molecular origin of this phenomenon and how to control it by manipulating the local interfacial chemistry is expected to have a profound technological impact. Recent experiments revealed colossal flow permeability of CNTs, which was related to molecular superlubrication of the water-carbon interface5. Reproducing such behaviour in « bio-mimetic » membranes is a great challenge and it would represent a major technological progress, with applications in a broad range of domains. Another challenge is to theoretically understand the observed phenomena. The pioneer molecular dynamics (MD) simulations of Hummer6 in 2001 showed that diffusion of water in sub-nm tubes occurs through a burst-like mechanism, stemming from the presence of single-file water chains capable of moving with little resistance. Since then simulations with atomistic approach have been extended to larger size and different type of CNTs. While there is now compelling evidence, from both experiments and MD simulations, that liquid flow enhancement does indeed occur in nanoconfinement, the quantitative measure of the flow enhancement and moreover the origin of this phenomenon is still subject to debate. The current state of the art highlights the inherent difficulties in probing the properties of confined water and the dependence of simulation results on the parameterization of classical molecular dynamics force fields7. The behaviour of charged particles in the vicinity of charged interfaces is a central yet elusive problem in the out-of-equilibrium statistical mechanics of Coulomb fluids. The equilibrium behaviour, already, runs afoul of intuition in several respects8. A noteworthy illustration is provided by the attraction between similarly charged surfaces that may set in under strong enough Coulombic couplings9. The like-charge attraction ensuing is the key effect underlying a wealth of phenomena10, including DNA condensation11, some scenarios of colloidal aggregation12, and the cohesion of cement pastes13. While the role of micro-ionic correlations – discarded within mean-field approaches such a Poisson-Boltzmann theory – has been recognized for about 30 years, analytical progress in the field has been thwarted by the difficulty to account for the many-body physics at work, and a consistent picture is only emerging in recent years14. Despite the decisive progress in understanding of strongly coupled charged colloidal suspensions, the dynamical behaviour of the electrical double-layers is far less understood. The question has been discussed following the recent emergence of electrochemical energy storage technologies15 exploiting confinement of ionic liquids into nanoscopic carbon pores and carbon networks in particular supercapacitors, which store energy through charging and discharging of electrochemical double layers16. From the experimental perspective, the most useful approaches have been AFM and SFA (surface force apparatus), which confine the electrolyte to films of 0 – 100 nm between two macroscopic curved surfaces17. The force between these surfaces, as a function of their separation distance, reveals oscillations that indicate the liquid structure in the direction perpendicular to the surface. While much focus has rested on the equilibrium structure of such highly confined

1 G.M. Whitesides, B.A. Grzybowski: Science 295 2418 (2002) 2 P. Haenggi, F. Marchesoni: Rev. Mod. Phys. 81, 387 (2009); J. Dobnikar, A. Snezhko and A. Yethiraj, Soft Matter 9, 3693 (2013) 3 L. Bocquet and E. Charlaix: Chem. Soc. Rev. 39 1073 (2010) 4 A. Siria, P. Poncharal, A.-L. Biance, R. Fulcrand, X. Blase, S. Purcell, and L. Bocquet, Nature 494, 455 (2013). 5 J.K. Holt et al., Science 312, 1034 (2006); K. Falk, F. Sedlmeier, L. Joly, R.R. Netz, and L. Bocquet: Nano Lett. 10, 4067 (2010) 6 G. Hummer, J. C. Rasaiah and J. P. Noworyta, Science 414 188 (2001) 7 H. G. Park and Y. Jung, Chem. Soc. Rev. 43 565 (2014) 8 A.Y. Grosberg, T. T. Nguyen, and B. I. Shklovskii, Rev. Mod. Phys. 74, 329 (2002); Y. Levin, Rep. Prog. Phys. 65, 1577 (2002) 9 L. Guldbrand, B. Jonson, H. Wennerstrom, and P. Linse, J. Chem. Phys. 80, 2221 (1984); R. Kjellander and S. Marcelja, Chem. Phys. Lett. 112, 49 (1984); P. Kékicheff, S. Marcelja, T.J. Senden, and V. E. Shubin, J. Chem. Phys. 99 6098 (1993) 10 H. Boroudjerdi, Y. Kim, A. Naji, R. Netz, X. Schlagberger, A. Serr, Phys. Rep. 416, 129 (2005). 11 V. A. Bloomfield, Curr. Opin. Struct. Biol. 6, 334 (1996) 12 P. Linse and V. Lobaskin, Phys. Rev. Lett. 83, 4208 (1999) 13 R. J.-M. Pellencq, J.M. Caillol, and A. Delville, J. Phys. Chem. B 101, 8584 (1997) 14 A. Naji, M. Kanduc, R. R. Netz, and R. Podgornik, in Understanding Soft Condensed Matter via Modelling and Computation, edited by D. Andelman and

G. Reiter (Addison Wesley, 2010); L. Šamaj and E. Trizac, Phys. Rev. Lett. 106, 078301 (2011) 15 B.E. Logan, M. Elimelech, Nature 488 313 (2012); S. Chu, A. Majumdar, Nature 488 294 (2012); J. Maier: Nature Materials 4, 805 (2005) 16 J. Chmiola, et al., Science 313, 1760 (2006); C. Merlet, et al., Nature Materials 11, 306 (2012) 17 R. Atkin and G. G. Warr, J. Phys. Chem. C 111, 5162 (2007); S. Perkin, Phys. Chem. Chem. Phys. 14, 5052 (2012)


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electrolytes, the dynamics has not been much explored. Yet, the ion translation into and out of pores, or towards and away from electrodes, is critical to the power output of devices. The key demand of nanotechnology is the miniaturization of the applications. Performance and sensitivity of analytic techniques strongly increase upon decreasing the size of devices – in principle enabling exploration of individual macromolecules. This opens up a vast potential for applications including physiochemical sensing and biomedical lab-on-a-chip applications. However, the label-free detection and identification of single molecules in aqueous environments remains a challenging goal. One promising candidate is the resistive pulse technique based on nanopores of both biological18 and nanotechnological origin19. Experimental techniques that visualize particles and fluid flow are severely limited by light diffraction: Particles smaller than about 100 nm cannot be tracked by direct visualisation with microscopy. To indirectly determine nanoparticle volumes one usually measures the electric polarizability20, which can also provide some information on the shape of the anisotropic particles. Elastic properties can be deduced from microrheological experiments21, as well as from single molecule manipulation used to probe elastic properties of the DNA molecule22. Recently, fluidic nanoslits were used to trap single charged nanoscale objects and determine their charge23. Since the measurement is performed at thermal equilibrium, this experimental system is decoupled from electrokinetic effects, and directly probes particle charge with unprecedented charge and time resolution. Measuring electrophoretic mobility and zeta potential of nano particles is critical in many applications related to nanoparticle transport24. Though widely spread in research labs, existing techniques like Laser Doppler / Phase Shift Electrophoresis25, Electro-acoustic26 still suffer limitations like incapability to measure highly concentrated solution, poor information about electrophoretic mobility distribution, lack of sensitivity for weakly charged particles, measurement interpretation and physical model complexity, sample volume, poor accuracy and reproducibility. An alternative method could be Differential Phase Optical Coherence Tomography recently used to measure the electrophoretic mobility measurement of TiO2 particles27 whose advantage is its small coherence detection volume, which allows the possibility of investigating small nano-ensembles of particles in concentrated samples and with low applied voltage. When an acoustic wave is applied to an electrolyte solution, local charge separation due to mass differences between species results in the generation of an electric field: This is the acoustophoretic effect that is a powerful tool to determine the charge (often presented as "ζ-potential") of colloids in suspensions or the surface charge in porous media. In the latter case, the so-called seismo-electric effect (SEE)28 can be used for underground exploration. Recent technological developments suggest that the electro-acoustic measurements could become mainstream analysis tools, provided that suitable devices and models allow their interpretation in terms of physical properties of the systems29. From the theoretical point of view, while Debye’s treatment was based on point particles, later studies based on integral equations30 allowed to estimate the effect of the finite ionic size and of the hydrodynamic interactions on the so-called ionic vibration potential in electrolytes and colloidal vibration potential in colloidal suspensions. The challenge for nanocolloidal suspensions is that the contributions of the particles, electrolyte, and even water itself31, are of comparable magnitude. Moreover, the thermal fluctuations of charge and density may play a larger role on the overall dynamics. In porous media, analytical results can be obtained only at the price of drastic simplifications32, rendering the theory of limited use to exploit the experimental data. The electrophoretic mobility of colloids results from both, the applied electric field and the force acting on the suspending fluid. This principle is exploited in electroosmosis generating fluid flow near a solid surface, e.g. in micro- and nanofluidic devices33 and in experimental techniques like phase shift electrophoresis and electro-acoustic methods. Electrokinetic phenomena play an important role in biological processes and have been exploited in ion-conductance microscopy34, which is a novel imaging techniques providing nanoscale-resolution images of living cells and probing their mechanical properties under ambient conditions. Multiscale modelling of electrokinetic flow is challenging due to the coexisting length- and timescales and materials heterogeneity at the 18 H. Bayley and C.R. Martin, Chem. Rev. 100 2575 (2000) 19 C. Dekker, Nature Nanotechnology 2 209 (2007) 20 E. Prodan, C. Radloff, N.J. Halas, and P. Nordlander: Science 302, 419 (2003) 21 T.A. Waigh: Rep. Prog. Phys 68, 685 (2005); F. Gittes, B. Schnurr, P.D. Olmsted, et al.:Phys. Rev. Lett. 79, 3286 (1997); 22 J. Gore, Z. Bryant, M. Nöllmann, M.U. Le, N.R. Cozzarelli, and C. Bustamante: Nature 442, 836 (2006) 23 Krishnan et al., Nature 467, 692 (2010); Mojarad & Krishnan, Nature Nanotechnology 7, 448 (2012) 24 T. Cosgrove: Colloid Science: Principles, Methods and Applications, Willey & sons, New York (2010) 25 X.U. Reliang: Particle Characterization: Light Scattering Methods, Kluwer Academic Publishers (2002) 26 R.W. O’Brien, D.W. Cannon, W. Rowlands, J. Colloid Interface Sci. 173 406 (1995) 27 P.G. Smith, M.N. Patel, J. Kim, K.P. Johnston, T.E. Milner, J. Phys. Chem. C 111 2614 (2007) 28 S. Pride, Phys. Rev. B 50, 15678 (1994) 29 R. Zana and E.B. Yeager, Mod. Aspects Electrochem. 14, 1 (1982) 30 S. Durand-Vidal, J.-P. Simonin, P. Turq and O. Bernard, J. Phys. Chem. 99, 6733 (1995) 31 Sedlmeier et al , J. Chem. Phys. 140, 054512 (2014) 32 A.S. Dukhin and V.N. Shilov, J. Coll. Interf. Sci. 246, 248 (2010) 33 D. J. Harrison, K. Fluri, K. Seiler, Z. Fan, C. S. Effenhauser, and A. Manz: Science 261, 895 (1993) 34 P. Novak, et al.: Nat. Methods 6, 279 (2009)


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nanoscale, which requires flexibility in dealing with boundary conditions. All-atom simulations of charged heterogeneous fluid media provide a proper model for both, the electrostatics and the electrokinetics of electrolytes. Atomistic simulations have determined the surface capacitance of water35, which is a prerequisite for a correct treatment of the electrokinetic effect. For all biological and solid surfaces, the electrokinetic surface charge is found to be substantially lower than their bare surface charge, which is traditionally rationalized by an enhanced interfacial viscosity. However, the surface conductivity is substantially higher than expected based on the electrophoretic mobility, which is explained by the awkward assumption of an excess surface conductivity. Experimental capacitance, electrophoretic and conductivity studies can be explained and brought into harmony by the interplay of interfacial dielectric and viscosity profiles as extracted from atomistic MD simulations36. How such molecular details allow tuning the transport efficiency is a key question, with strong potential impact on energy production and storage applications. The computational cost of atomistic simulations, however, prevents their use to investigate larger scale behaviour relevant for colloidal systems and porous flow. Coarse-grained methods like Lattice Boltzmann37 (LB) and Multi particle collision dynamics38 (MPC) have recently been developed and applied – they will likely become standard tools in academic research and industrial applications. Transport of polymers in confined nanostructured channels is a prominent, active, and long-standing topic in modern materials science. Interest in this topic arises both from its fundamental importance in understanding the influence of the channel geometry and flow on the conformation and relaxation of the polymers and from its relevance for a number of technological applications including polymer-enhanced oil recovery, size-exclusion chromatography, gel electrophoresis, targeted drug delivery39, and DNA sequencing analysis aided by microfluidic or nanofluidic devices. In a number of recent experimental studies, the flow of linear (flexible and semiflexible)40 and ring-shaped41 polymers through microfluidic channels has been studied. Theoretical and computational work has also been performed42, demonstrating that taking proper account of polymer elasticity and deformability as well as their steric and hydrodynamic interactions, both with other molecules and with confining surfaces, is crucial. Competing advection and polymer relaxation give rise to unexpected polymer behaviour, e.g. cross-streamline migration43 or helical coiling44. Understanding of the underlying physical mechanisms opens an avenue for the rational design of nanochannels with a broad range of applications such as sizing and sorting of DNA fragments45 or spatial focusing of inhomogeneous solutions. Another exciting emerging area of nanoscience is the study of activated nanocolloids46. A recent realization explores the idea of phoretic colloids driven by osmotic pressure imbalances47 or by AC electric fields to drive nanocolloidal inclusions, since they avoid the ion migration mechanisms caused by direct current driving, thus enabling the transport of water-based liquid inclusions or living cargo. The required asymmetry for this phoretic mechanism to be efficient is readily obtained with the use of a nematic liquid crystal host, capable to transport both homogeneous solid or liquid inclusions48.

NANOTRANS will advance the state of the art addressing a broad set of challenges through academic and industrial research and will train young researchers for future development.

1.1.3 NANOTRANS WORKPACKAGES AND KEY APPLICATIONS The common objective of all research projects in this proposals is to perform experiments or simulations in a range of nano-systems spanning length scales from 1 to several hundreds nm and to explore their emerging behaviour in complex media, nanoconfinement, thermodynamic gradients, or external fields. Taking inspiration from the solutions found by evolved biological systems in nature, we expect to discover new functionalities at the nanometre scale, where the behaviour of matter strongly departs from common expectations. We have grouped the research projects into three workpackages addressing distinct but connected topics in nanoscience.

35 D. Bonthuis, S. Gekle and R.R. Netz: Phys. Rev. Lett. 107, 166102 (2011) 36 D.J. Bonthuis, S. Gekle, R.R. Netz: Langmuir 28, 16049 (2012); D.J. Bonthuis and R.R. Netz: J. Phys. Chem. B 117, 11397 (2013) 37 S. Chen, G.D. Doolen: Annu. Rev. Fluid Mech. 30, 329-364 (1998); B. Duenweg, A.J.C. Ladd, Adv. Poly. Sci. 221, 89 (2009) 38 R. Kapral: Adv. Chem. Phys. 140, 89 (2008); G. Gompper, T. Ihle, D.M. Kroll, and R.G. Winkler: Adv. Polym. Sci. 221, 1 (2009) 39 R. Duncan, Nature Reviews Drug Discovery 2, 347 (2003); D. Astruc, E. Boisselier, C. Ornelas: Chem. Rev. 110, 185 (2010) 40 J. T. Del Bonis-O’Donnell, W. Reisner, and D. Stein, New J. Phys. 11, 075032 (2009); D. Steinhauser, S. Köster, and T. Pfohl, ACS Macro Letters 1, 541 (2012); Q. He et al., Macromolecules 46, 6195 (2013); U. A. Kleßinger, B. K. Wunderlich, and A. R. Bausch, Microfluid. Nanofluid. 15, 533 (2013); W. Reisner, J. N. Pedersen, and R. H. Austin, Rep. Prog. Phys. 75, 106601 (2012) 41 A. Narros, A. J. Moreno, and C. N. Likos, Soft Matter 6, 2435 (2010); M. Bernabei, et al., Soft Matter 9, 1287 (2013). 42 R. M. Jendrejack, et al., Phys. Rev. Lett. 91, 038102 (2003); L. Cannavacciuolo, R. G. Winkler, and G. Gompper, EPL 83, 34007 (2008); R. Chelakkot, R. G. Winkler, and G. Gompper, EPL 91, 14001 (2010); J. Phys.: Condens. Matter 23, 184117 (2011); S. Reddig and H. Stark, J. Chem. Phys. 135, 165101 (2011); Y. Zhang, J. J. de Pablo, and M. D. Graham, J. Chem. Phys. 136, 014901 (2012) 43 D. Stein, et al., Proc. Natl. Acad. Sci. USA 103, 15853 (2006); D. Steinhauser, S. Köster, and T. Pfohl, ACS Macro Lett 1, 541 (2012); O.B. Usta, J.E. Butler, and A.J. C. Ladd, Phys. Rev. Lett. 98, 098301 (2007); A. P. Markesteijn, et al., Soft Matter 5, 4575 (2009) 44 R. Chelakkot, R.G. Winker, and G. Gompper, Phys. Rev. Lett. 109, 178101 (2012) 45 W. Reisner, et al., Proc. Natl. Acad. Sci. USA 107, 13294 (2010) 46 Paxton W.F., et al., J.Am.Chem.Soc. 126, 13424 (2004); Howse, J. et al., Phys.Rev.Lett. 99 (2007); Buttinoni I. et al., Phys.Rev.Lett. 110, 048102 (2013) 47 Palacci J., et al., Science 339, 936 (2013) 48 Hernàndez-Navarro S., et al, Soft Matter 9, 7999 (2013)


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WP1: NANOFLUIDICS (Projects P1-P4; P16). A major challenge for nanofluidics is building individual and well-controlled nano-channels or membranes made of novel materials and amenable to systematic exploration of their properties. Only very recently, progress in nano-assembly using nanostructures as building blocks could bypass this challenge, opening a new world to explore. We propose a series of connected nanofluidic experiments that will address two major topics: i) exploring transport properties and granularity of extremely confined fluids and ii) detection and characterization of single macromolecules in nanofluidic devices. Developing new experimental techniques will be an integral part of all projects within WP1. We will explore novel concepts and develop prototype equipment for measuring charge on single nanocolloids (P3, P16), with unprecedented accuracy. Using nanostructuring methods (P2) we will create nanochannels where single macromolecules (e.g. DNA or proteins) can be detected and characterized – aiming at developing efficient lab-on-a-chip systems. We will use and improve the state-of-the-art techniques to assemble new nanostructures (P1 and P4) and measure the efficiency of water transport at their interfaces. The aim is to completely understand the fundamental physics of solid-liquid friction at almost atomic scales where the continuum fluid flow breaks down and new phenomena – especially relevant for energy production and storage – can be expected. The experiments performed with novel methods within WP1 will be closely connected to the multiscale modelling within WP2. WP2: MULTISCALE MODELLING (Projects P5-P9). As argued in the State of the art section, the computing power and simulation methods are currently at a level enabling systematic exploration of non-equilibrium systems at the nanoscale. Within NANOTRANS, we will develop several new simulation methods to study fluid and charge flow at various levels of detail from atomistic effects for structuring of water at interfaces to colloidal models for flow of soft deformable particles. At the smallest scale, we will use ab initio simulations (P6, P5) to explore atomistic properties of water in nanoconfinement including the solid-liquid friction for different confining materials. The results of ab initio simulations will be used as an input to construct new force fields (P6) and will provide information on dielectric response for coarse-grained simulations (P5-P9). We will explore the dynamic correlations of electrolyte ions in aqueous suspensions (P9), the electrokinetic effect in external fields (P5, P8), as well as coupling of acoustic and electric signals (P7) that is used in acoustoelectric exploration of porous materials. The multiscale modelling within WP2 will complement experimental approaches in WP1 and WP3, synergetically resulting in deeper understanding of key nanoscale processes.

WP3: MACROMOLECULES & THERMODYNAMIC GRADIENTS (Projects P10-P15). Flow of complex nanocolloidal particles or macromolecules in confined geometries (e.g., porous materials and micro- or nanofluidic devices) is characterized by interplay between particle internal degrees of freedom, particle-particle interactions, interfacial phenomena, thermodynamic gradients, wetting effects, and the details of solute transport at small scales. It is well established that solute gradients can induce colloidal drift, or fluid motion in pores – a process generally known as phoresis. Such phoretic effects have the potential to move colloidal materials more effectively than diffusion, and deliver them to hard-to-reach locations. Thus, they are potential for delivering colloidal payloads to specified regions. We will explore several examples of phoretic mobility both in simulations and experiments. We will perform atomistic simulations to explain diffusiophoresis and to predict how surface reactions can generate autonomous nanocolloidal motion (P11). For a binary mixture (P12), the differential affinity of the two liquids for the solid substrate offers the possibility to control their surface transport. As

The 16 research projects (see Table 3.1.d for details on all individual projects; P16 will be funded externally) grouped in three workpackages propose experiments and simulations in a range of nano-systems spanning length scales from 1 nm to several hundreds nm.


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opposed to standard methods to produce emulsions in microfluidic devices, we will explore heterogeneous wetting as a way to tune the flow of thin fluid films and to promote localized drop emission down to the nanoscale. Experimentally (P10), we will explore phoretic mechanisms for field-driven transport of colloidal inclusions suspended in nematic liquid crystals – a method of directed transport that has a potential to simultaneously actuate an arbitrary number of inclusions without the field of view limitation of optical trapping techniques. We will study polymer flow (P13 and P14) in structured nanochannels with computer simulations correctly capturing the polymeric degrees of freedom (for linear and ring polymers) and the hydrodynamic flow with complex boundary conditions. Understanding the physics of collective polymer flow will enable rational design of nanochannels with a broad range of applications such as sizing, sorting, delivery, or spatial focusing of inhomogeneous solutions. Finally, the deposition of particle-structured gels on impermeable or semi permeable substrates will be addressed (P15) with a focus on developing new industrial materials. We will study solvent flow triggered by evaporation, diffusion, gravity, or combination of them, and response of such materials to external shear that is typically applied during mechanical action of consumer or appliances. APPLICATIONS. In NANOTRANS, we want to address fundamental questions that represent central milestones for development of new nanotechnologies and have a decisive impact on some of the key challenges of modern society such as providing sustainable and sufficient sources of energy and water, novel smart materials, efficient energy storage, and miniaturization of devices. The projects that are of fundamental nature will open up possibilities for developing new groundbreaking technologies in the future. However, many projects are at a sufficiently mature stage to have a potential to lead to applications within the duration of the network. Examples are activities of COR and ARESIS who will be developing new advanced instruments in collaboration with other participants (JÜLICH, CNRS), or UNILEVER research on innovative food and household related products. Several other applications are expected to emerge from our research activities and in order to ensure that their potential for commercialization is recognized, the results are optimally exploited, and that the IP is properly protected, we will appoint the NANOTRANS Knowledge Transfer Coordinator. At this stage, the two key NANOTRANS applications should be mentioned: i) Blue energy: The potential of osmotic power for energy

harvesting is huge, up to 2 Tera Watts (~ 2000 nuclear reactors). At present, its applicability is presently hampered by the low efficiency of the membrane processes. In a recent Nature paper4, we show that the use of new nanomaterials as membranes considerably enhances diffusio-osmotic transport, leading to a huge increase of the osmotically driven electric current, and thus eliminating the key bottleneck that held back the emergence of this technology. Fundamental research proposed within NANOTRANS (WP1) will enable us to design and build a medium-scale prototype delivering osmotic power of 100W/m2. We have a clear roadmap to do so and at present a start-up company is being created (L. Bocquet, CNRS) with a plan to evolve into a joint venture with interested larger companies (e.g. Veolia, Fuji, Shell, Saint Gobain…) to translate the fundamental discoveries to

products. The ESRs 1, 2 and 5 will be involved in these activities. ii) Protein control in microfluidic environment. DNA sequence does not tell us how proteins interact with other molecules to drive the machinery of life. Current experimental methods are insufficient to address this key question and expanding the separation repertoire by separating proteins on the basis of their motion in a concentration gradient would dramatically enhance the separation power of analytical tools in protein science. A particularly exciting area of application is to probe the molecular origins of protein aggregation, which occurs in neurodegenerative disorders such as Alzheimer’s and Parkinson’s diseases. In NANOTRANS associate partner FA an approach is being developed that will extend the limits of sensitivity for the detection of protein misfolding, which will facilitate the evaluation of future preventive and therapeutic approaches. Several NANOTRANS research projects (P2, P5, P6 and P8) will be crucial for the success of the technological innovation that is carefully planned in the business strategy on the diagram.

1.1.4 RESEARCH METHODOLOGY AND APPROACH 1.1.4.1 Research methods The research philosophy behind NANOTRANS is to synergetically combine experimental and theoretical research to address pertinent questions of transport at the nanoscale beyond the current state of the art and to


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transfer the fundamental research to industry by designing novel applications. The Network covers a broad range of methods and techniques from particle synthesis to advanced nanoscale observation methods, computational approaches and mathematical modelling. In the past the PIs contributed seminal results to the field. Their specific expertise, combined in the NANOTRANS network, includes the following state-of-the art methods (more details are in the capacities tables in Section 5): Theoretical methods: equilibrium & non-equilibrium statistical mechanics, theory of molecular interactions: atomistic force fields, electrostatic, magnetic and dispersion interactions, theory of polymers & polyelectrolytes, atomistic & coarse-grained simulations (Molecular/Brownian dynamics, Monte Carlo, Lattice-Boltzmann, Multi particle collision dynamics, and cellular automata). Experimental methods: video/confocal microscopy, optical manipulation, holographic tweezers electromagnetic driving, atomic force microscopy, rheology, micro- and nanofluidics, particle image velocimetry, deep UV detection, spectroscopy, Rayleigh, neutron and X-ray scattering, magneto-optical birefringence, soft lithography, preparation of nanoporous solids, nanoparticle synthesis, acousto-phoretics, electrophoretics, thermophoretics.

1.1.4.2 Organization of NANOTRANS NANOTRANS is built around six workpackages (see Table 1.1). Following the three scientific workpackages, the workpackages WP4-WP6 focus on network-wide activities such as training, knowledge transfer and network management. These activities will be described in the following sections of the proposal.

Table 1.1: Work Package List Work

package No.

Work Package Title

Act

ivity

T

ype Lead

Part. No

Lead Participant Short Name St

art

Mon

th

End

m

onth

ESRs involvement

WP1 NANOFLUIDICS

RE

SEA

RC

H

2 CNRS 0 48 ESR1-4 & ESR16

WP2 MULTISCALE MODELLING 9 FUB 0 48 ESR5-9

WP3 MACROMOLECULES & THERMODYNAMIC GRADIENTS 4 UB 0 48 ESR10-15

WP4 TRAINING 3 JGU 0 48 All ESRs

WP5 KNOWLEDGE TRANSFER 10 UOXF 0 48 All ESRs

WP6 NETWORK MANAGEMENT 1 UCAM 0 48 All ESRs (partially)

1.1.5 ORIGINALITY AND INNOVATIVE ASPECTS OF NANOTRANS We are proposing research training for ESRs in an emerging field with unanswered fundamental questions and great potential for industrial applications. The training strategy of NANOTRANS is designed to meet general concerns regarding the shortage of researchers with cross-disciplinary skills and inter-sectorial experience. In our opinion, a well-structured educational program at the European level is needed. The proposed supradisciplinary training program is based on supervision quality and on exploiting the network potential. 1.1.5.1 Collaborations: Exploiting the Network Potential. NANOTRANS projects require a synergy of methods and combine experimental and theoretical approaches. We are a unique group of world-class researchers and companies willing to work together. The proposed network structure is essential to facilitate our synergetic efforts and will provide recruited ESRs a unique training in an emerging field of S&T - unavailable elsewhere. Direct collaborations, ESR secondments and short visits, network meetings, and inter-sectorial knowledge transfer, make NANOTRANS an ideal platform for top-level research training. A part of our efforts will be focused on developing novel instruments and designing currently non-existing experimental and simulation methods that will be applied in other projects across the network. Partners' expertise offer ample evidence of multiple connections, coherence, and complementarity necessary for the ambitious goals set forth in the proposal. 1.1.5.2 Interdisciplinary and intersectorial aspect. NANOTRANS research is interdisciplinary with impact in Physics, Chemistry, Materials Science, Engineering, Electronics, Biology, Medicine, Pharmacology, and Environmental Science; NANOTRANS comprises Chemistry, Physics and Engineering departments. Some projects focus on emerging problems that may yet become of industrial relevance, while many are directly relevant to applications and will be exploited by strong collaboration across the sectors. 1.1.5.3 Contribution of the private sector. The participating private sector partners are actively involved in all NANOTRANS research, training and managing activities and are co-shaping a balanced research-training program. UNILEVER is a world leading company in food and cosmetics industry, while CORDOUAN is a SME company developing novel instruments for nanoscale measurements and macromolecular characterization. Their participation in NANOTRANS as full partners ensures that the research-training program is relevant to industry. NANOTRANS will further benefit from private sector partners’ experience in project management. Both


NANOTRANS - ETN


companies will offer NANOTRANS ESRs a unique opportunity to experience specific aspects of scientific research in the industrial environment, including the necessary procedures regarding safety, intellectual property and project management. Associate partners FLUIDIC ANALYTICS and ARESIS are SME companies. While not recruiting students, they will provide a valuable insight into specifics of start-up companies and actively contribute to training activities, network management and they will host secondments. Through close collaboration with the academic participants, the private sector will acquire a valuable feedback as well: new ideas and insight into the state-of-the-art fundamental research that can lead to new solutions/products.

Each NANOTRANS ESR will undergo an inter-sectorial secondment and will be further exposed to the both sectors through short visits, network meetings, advanced training modules and transferable skills courses.

1.2 QUALITY & INNOVATIVE ASPECTS OF TRAINING PROGRAMME 1.2.1 OVERVIEW OF NANOTRANS TRAINING PROGRAMME

The core of the NANOTRANS Training Program is education underpinned by regular PhD programs and training through research at the partner institutions - in emergent field of soft matter transport at the nanoscale. To provide complementary knowledge, transferable skills and a first-hand experience in a wide range of multidisciplinary topics, we will additionally organize network-wide educational instruments. A special added value of NANOTRANS will be the possibility to move between the sectors and thus gain valuable experience, as well as excellent future career opportunities, both in academia and industry. We will ensure that all recruited fellows

are sufficiently exposed to both sectors through reciprocal industry-academia secondments and participation in the training events. NANOTRANS will offer ample opportunities to ESRs to take part in world-class training and research, build collaborations, acquire project management, communication and organizational skills, and to develop the Personal Career Development Plan. In order to efficiently coordinate the training program, fully exploit the network benefits, and ensure that the training activities are coherent and executed to the highest standards, we have appointed Prof Friederike Schmid as a Training Coordinator. We will recruit 15 ESRs. All nodes have sufficient capacity and supervision quality to host the ESRs.

Table 1.2.a: Recruitment Deliverables per Participant

1.2.2 REGULAR PHD PROGRAMS The default modules of ESR training will be the PhD courses offered at the nodes. We will rely on these courses and help ESRs tailor their individual study programs consistent with their interests and broad enough to expand their scientific horizon. In personalizing the curricula, we will explore all options available at that node – not only

Researcher No. Recruiting Participant (short name) Planned Start Month Duration (months) ESR1 CNRS 6 36 ESR2 UCAM 6 36 ESR3 COR 6 36 ESR4 UOXF 6 36 ESR5 FUB 6 36 ESR6 JGU 6 36 ESR7 CNRS 6 36 ESR8 UCAM 6 36 ESR9 CNRS 6 36

ESR10 UB 6 36 ESR11 UCAM 6 36 ESR12 UB 6 36 ESR13 JÜLICH 6 36 ESR14 UNIVIE 6 36 ESR15 UNILEVER 6 36

TOTAL 540


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at departments of physics and chemistry but also in other departments, e.g., materials science, engineering, biology, medicine, or mathematics. As a part of the joint recruitment of ESRs, the NANOTRANS web portal will include a list of all the PhD courses offered at the nodes. The individual study program of each ESR will be a part of his or her Personal Career Development Plan. The students will be duly credited for attending appropriate summer schools, NANOTRANS training modules, and undertaking secondments: We will guarantee that the they are credited as specified by the European Credit Transfer System (ECTS). The regular PhD programs will be supplemented by short specialist courses by visiting scientists (associate partners and other leading scientists).

1.2.3 TRAINING THROUGH RESEARCH The main training beyond PhD programs will include special topics ESRs will study during their research. These topics will focus on experimental, theoretical, and computational nonequilibrium soft matter physics. Each ESR will be assigned to work on the individual research project at the host node, as detailed in Table 3.1d. The host nodes will provide all necessary infrastructure (office desk, lab space, computers, library, internet, telephone, access to scientific databases and online journals…) and will play an important role in training: research methodology can be best taught by example set by senior scientists meeting with the student on a daily basis. All nodes have excellent capacities to carry out the planned supervision (Section 5) and will provide a comprehensive introduction into all elements of research including the role of scientific publications, databases, ethics, communication and dissemination of the results. 1.2.4 PARTICIPATION OF PRIVATE SECTOR IN THE TRAINING PROGRAMME Private sector partners will co-shape all aspects of the Training Program and actively participate in steering of the network. This will ensure that NANOTRANS is a balanced network providing a proper exposure of young researchers to academia and industry. One of the most important aspects of the ESR training will be the knowledge transfer including exploitation of results and the protection of intellectual property rights (IPR). The ESRs will be trained with the constant message that their research is objective-driven and that one of the objectives is to publish its results in the media with possible major impact and to produce patents and documents protecting the achievements. Here the experience of the private-sector participants will be crucial. The ESRs will have a leading role in the preparation of both publications and patents under the close collaboration of the supervising team. IPRs are strongly protected in different research centres and industry of NANOTRANS – most have fully dedicated departments that provide means and legal assistance in IPR. The ESRs will go to see these departments and learn about their objectives as well as their working procedures. A more thorough overview of such issues will be provided to ESRs during the NANOTRANS Secondments Phase (Month 24-30) and during the Training Events organized by UNILEVER and COR (see Table 1.2.b). The private sector partners will – besides providing the secondments - participate in the Supervisory Board and Training Committee (Section 3), organize Advanced Training Modules (T2, T7, T8) and Transferable Skills courses (S4, S5). The detailed plan of secondments for each ESR is presented in Table 3.1.d. Each ESR will undergo a 3 to 6 month intersectorial secondment within her/his second year of recruitment (see Gannt chart, Section 4). This will provide academic-based ESRs an insight into the specifics of work in industrial laboratories, including the constraints imposed on the research by large-scale production, economic factors, environmental issues, and legal issues. The industrial partners will be responsible for all the legal and administrative aspects and will organize practical aspects such as lodging and administrative issues for the fellows. In the opposite direction, the industry-based ESRs will experience academic environment and attend to PhD programs. Upon completing the secondments, the ESRs and their supervisors will submit reports to Industrial Committee, which will monitor the quality of these activities.

1.2.5 NANOTRANS INNOVATIVE TRAINING INSTRUMENTS 1.2.5.1 Initial Orientation Workshop The first training activity – immediately following the ESR recruitment process – will be the Initial Orientation Workshop for all ESRs. The 4-day workshop will cover an introduction to scientific topics and organization of NANOTRANS and key transferable skills: i) research methodology ii) safety at work iii) career opportunities iv) teaching, research, and information management v) environmental issues vi) time management vii) team work viii) intellectual property rights and ix) specifics of work in industrial environment. During the meeting the fellows – assisted by designated PIs from both sectors – will create their Personal Career Development Plans that will include fellow’s career aspirations, the individual study program, selection of suitable NANOTRANS Advanced Training Modules and Transferable Skills Courses, research outline, and a plan of inter-sectorial exposure. This will be regularly monitored and updated during the following NANOTRANS Annual Meetings. 1.2.5.2 Network Annual Meetings During the annual meetings, ESRs will present their work to all PIs – receiving valuable feedback on their progress and motivation for future work. Such reports and the subsequent discussions will also have synergetic effects on the network-wide research efforts. During the meetings the Training and Industrial Liaison Committees


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will review and update ESRs’ Personal Career Development Plans and conduct informal discussions regarding all aspects of their training and research progress. The meetings will be combined with the Advanced Training Modules and Transferable Skills Courses into two-week events for ESRs, as detailed in Table 1.2.b. 1.2.5.3 Advanced Training Modules To facilitate transfer of specific expertise from specialists to ESRs, we will prepare a series of one-week training modules (T1-T8) providing an introduction to relevant experimental/theoretical techniques:

T1 Hydrodynamic Interactions: Theory and Simulation Techniques JÜLICH, UB • Dynamics of many-body systems: Langevin equation, Fokker-Planck equation, Brownian dynamics • Continuum theory: Navier-Stokes equation, Reynolds number, Stokes approximation, Oseen tensor • Mesoscale simulation techniques: Lattice Boltzmann / Particle based approaches, Multi-particle Collision Dynamics • Hands-on numerical problems in hydrodynamics T2 Light scattering and Microscopy: Experiments and Instrumentation JÜLICH, ✔COR, ✔ARESIS • Theory of light scattering / Hands-on experiments: static and dynamic light scattering • Advanced techniques (heterodyne light scattering under shear flow and evanescent wave scattering) • Confocal microscopy: particle tracking and long-time self-diffusion coefficient of a colloidal sphere • A mini course on technical details of the instrumentation; Hands-on lab exercises T3 Understanding Molecular Simulations UCAM • Statistical mechanical background of simulations / Advanced Monte Carlo and Molecular Dynamics techniques • Numerical predictions of phase equilibria / Numerical studies of rare events / Hands-on simulation problems T4 Electrostatic Interactions in Soft Matter & Electrokinetic Phenomena FUB, CNRS • Poisson-Boltzmann theory / Ion correlations: strong coupling / Polarizability • Coupling to the fluid flow: electrokinetics / Role of charges in biology T5 Fabrication of Nanofluidic Devices & Optical Manipulation Techniques CNRS, UCAM, UOXF, UZH • Fabrication of Nano- and microfluidic devices • Manipulation of colloids with single beam and holographic optical traps in micro-and nanochannels • Passivation of charged surfaces with polymer layers / Hands-on experiments with nanofluidic devices T6 Theory of Polymers UNIVIE, JGU • Single chain conformations and the excluded volume effect / Polymer solutions and blends • Coarse-graining, De Gennes blobs and multi-blobbing / Special polymer architectures (star-shaped and branched) • Nanoparticle-polymer mixtures / Polymer flow T7 Advanced Materials & Engineering ✔UNILEVER, MIT, GU We will offer a course on selected topics on advanced materials design and engineering. UNILEVER, MIT and GU (associate members) will jointly organize the module, which will include: • Nano-scale organization, transport mechanisms and interface processes in engineering materials • Cementitious gels; chemical additives in cement pastes / Biomimetic and nano-scale wood based composites • From nanoscale physical chemistry to aging, durability and sustainability / Nanophysics for food and personal care T8 Nano-applications in Medicine and Biology ✔FA, UCAM Overview of biomedical applications related to NANOTRANS. We will engage PIs, as well as external top-level experts from biology, medicine and pharmaceutical industry, to cover topics including: • Nanoscale processes in cells / Drug delivery: from understanding nanoscale transport to applications in pharmacy • Cancer research: state-of-the-art understanding of the process and novel treatment strategies • Molecular mechanisms in neurodegenerative diseases / Multivalent binding and super-selective cell targeting

Most of these topics are not included in standard PhD courses at Universities; thus additional training we propose is essential for the ESRs. In total, 8 training modules will be organized 6 of them (T1-T6) will mainly cover advanced research topics (i.e. light scattering, molecular simulations, polymer theory, hydrodynamics, electrostatics, nanofluidics), while T7 and T8 will focus on applications of nanoscale research (i.e. advanced engineering, biomedicine). During the modules, students will have the opportunity to work with theoretical and/or experimental tools available at the node through specifically designed hands-on exercises. The Advanced Training Modules will be open to non-NANOTRANS participants, but we will limit the participation to 25 students. In order to optimize the schedule, we will combine the organisation of Advanced Training Modules, Transferable Skills Courses and regular network Annual Meetings. Researchers at the nodes, including local ESRs, will be responsible for educational content, organization and practical arrangements. The visiting ESRs will be given a tour of the host city, which will promote the European spirit of the network. Industrial partners (✔) will organize two modules: COR will be in charge of T2, FA of T8, and UNILEVER will host the entire event including T7. This will be an ideal opportunity for ESRs to experience the industrial environment from the inside. Each ESR will be expected to participate in at least 5 modules. We will pay special attention to the laboratory safety procedures and regulations. We will raise the awareness regarding environmental concerns, e.g., handling of solvents and other hazardous chemicals with special attention to nanoparticles. Issues of sustainable development


NANOTRANS - ETN


for engineering materials and environmental-friendly processing relevant to nanoscale physics will be specifically addressed in module T7. Basic written material (slides, schematics, explanations of experiments) will be provided, and it will also be available on the NANOTRANS web site. We will evaluate the quality of all the modules and where appropriate, we will take measures to incorporate them into standard PhD programmes at the Universities. 1.2.5.4 Transferable Skills Courses Being aware of the diversity of skills needed in academic and industrial environments, we will extend the NANOTRANS training framework by incorporating short courses addressing issues such as industrial skills, intellectual property, ethics, academic practice, management development, communication and presentation, career development, etc. We will build on the experience of the nodes where such activities have been successfully implemented (e.g., within the Staff Development Programme at the University of Cambridge and similar programs at other nodes) and combine the existing courses, engage external experts, as well as cover some of the topics ourselves. When appropriate, we will encourage the students to attend related activities beyond those organized by NANOTRANS, such as the Marie Curie Fellows Association courses.

S1 Ethics & Scientific Conduct JÜLICH • Being a scientist; ethical principles (Responsibility, Accountability and Conduct) • Consequences of scientific misconduct / Scientific research in Academic and Industrial environment • Gender issues, Gender Innovations project (http://genderedinnovations.stanford.edu/)

Tentative: Bernadette Bensaude-Vincent; philosopher specialized in ethics in nanotechnology; CNRS ethics committee. S2 Innovative Proposals & Products JGU, UCAM Module encouraging innovative thinking. It will consist of several phases throughout the duration of NANOTRANS: Phase 1: Introduction to proposal writing and to product development Phase 2: Participants think of a challenging idea for scientific project / industrial product and discuss with dedicated PIs Phase 3: Reviewing & Feedback from PIs in charge; Presentations. Participants achieving sufficient quality level will be encouraged to submit proposals or develop products. This is a novel training activity, only viable within a network with broad complementary expertise. The Training Committee will analyse its implementation and write a report containing results and suggestions. S3 Communication skills CNRS • Organization and structure of the talk; content of slides – the common mistakes • Intended audience and level of presentation / Body language and eye contact • Addressing problems and answering "difficult" questions / Broad audience dissemination and press release

The CNRS node established various connections over the past years with professionals that are tentative speakers: Nicolas Witkowski (writer and scientist having authored numerous dissemination books, physics teacher, editor, etc.); Claude Vadel (consultant on scientific communication); David Larousserie (scientific writer and journalist at “Le Monde”); J.M. Courty, researcher, book writer, collaborating to broad audience scientific journals “Pour la Science” and in charge of preparing press releases for CNRS; Edouard Kierlik, scientist, book writer and collaborator for “Pour la Science”. S4 Spin-off companies & Intellectual property rights ✔COR, ✔FA, ✔ARESIS • IPR: establishing ownership, responsibilities, and liabilities; enforcement of rights • Types of IPR: copyright, patent, trademark, industrial design • Technology transfer, commercialization models / International patent systems; agreements and litigation

S5 Project management UNIVIE, ✔ UNILEVER • Practical model and key tools for effective and efficient project management / Financial management • Project meetings organization: technical and steering committee meetings • Writing reports, dissemination of results and communication with EU and with partners

S6 Scientific writing UOXF • Communication – reasons for writing and ways of targeting readers / • Text structure – text coherence and its reinforcement; layout and structure • Editors from leading journals will be invited to talk to students about principles of editorial work • Writing for general public: popular science texts

S3 European funding – opportunities and practical aspects FUB • Overview over European funding possibilities within Horizons 2020 • Individual projects and networks / Writing applications: do’s and don’ts

S4 Career review and planning for contract research staff UB • Assessing individual development needs / Identifying the direction they would like to take in the future • Plan of action to further career goals / Participation in individual work, small group work, and plenary sessions

1.2.5.5 NANOTRANS Summer School We will organize (tentatively in 2017) a 2-3 weeks International Summer School focused on Soft Matter at the Nanoscale. We will ask a well-known centre (e.g., Cargèse, Les Houches, Mautendorf, Monte Verità, Erice, Varenna) to host the school; this will contribute to its visibility and impact. The school will be publicized within the international soft matter community and beyond. The lecturers will be selected among NANOTRANS PIs and


NANOTRANS - ETN


other top-level scientists from the field. Topics will be highly interdisciplinary and there will be a special focus session on applications. NANOTRANS ESRs will be encouraged to organize a session themselves. We will publish the school proceedings designed as a graduate-level textbook on non-equilibrium soft matter. Participation will be mandatory for the network ESRs and open to non-NANOTRANS students. Financial support for students from countries other than EU, USA, Canada, and Japan will be provided. To encourage exchange of ideas between students and lecturers, the school will include various leisure activities. 1.2.5.6 NANOTRANS Conference NANOTRANS PIs will be actively present (many as organizers) at major conferences in the field, i.e. Liquid Matter Conference, International Soft Matter Conference, Jülich Soft Matter Days, International Conference on Statistical Physics, Gordon Research Conferences, KITP Workshops, APS meetings, CECAM workshops, etc. Towards the end of the network, we will organize a medium-size international conference that will be one of the main instruments to disseminate our research achievements. The format will be based on similar past events our PIs co-organized (Socobim, Terrasini 2007 and Physics of Complex Colloids, Ljubljana 2013): medium-size meeting with about 200 participants, no parallel sessions, intense interactions and discussions. The Events & Outreach Committee will select the date and venue and nominate the conference organizational committee. 1.2.5.7 Topical Workshops PIs will organize a series of topical workshops focusing on NANOTRANS-related topics., presumably at existing EU facilities such as CECAM or ESMI. We will invite representatives from scientific journals (e.g. Nature Materials, Nano Letters, Soft Matter, European Journal of Physic). A guarantee for efficient organization is our reassuring track record: in 2011-2014 we organized Liquid Matter Conference, International Soft Matter Conference, Jülich Soft Matter Days, and more than 20 CECAM workshops. 1.2.5.8 Outreach activities The NANOTRANS public presence will be manifold, as described in Section 3. By communicating science to the public, ESRs will develop their communication skills, which is very important for their future careers.

Table 1.2.b Main Network-Wide Training Events, Conferences and Contribution of Beneficiaries

No. Main Training Events & Conferences ECTS Lead Institution

Project Month

1 Kick-off Meeting (discussions & planning of training) / UCAM 1

2 Initial Orientation Workshop 8 JÜLICH

7 T1 Hydrodynamics T2 Microscopy S1 Ethics S2 Innovative Products 1

3 T3 Understanding Molecular Simulations 8 UCAM 9

4 Annual Meeting 6 CNRS

11 T4 Electrostatics/Electrokinetics T5 Nanofluidics S3 Communication Skills S2 Innovative Products 2

5 NANOTRANS Summer School 10 JGU 15

6

Annual Meeting 6 UNILEVER 22 T6 Theory of Polymers T7 Advanced Materials S4 Project Management S5 Spin-off companies

7 Annual Meeting 6 UOXF

33 T8 Nanotechnology & Biomedical Applications S6 Scientific writing S2 Innovative Products 3

Topical Workshops: 8 Electrokinetic Phenomena in Nanoconfinement / FUB 34 9 Nanofluidics Principles and Applications / CNRS 35

10 Polymer Flow in Nanochannels / UNIVIE 36 11 Advanced Methods for Nanoscale Characterization / COR 37

12 NANOTRANS Conference / UOXF, FUB 42

13 Annual Meeting 6 UB 33

S7 EU funding S8 Career Opportunities Preparations for final report


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1.3 QUALITY OF THE SUPERVISION 1.3.1 SUPERVISION ARRANGEMENTS The individual ESR research projects are described in detail in Table 3.1.d where the host node, lead PI, and main collaborators are listed for each project – together with scientific objectives, expected results and planned secondments. Each recruited ESR will be employed at one host node throughout the training and most will have one PI as a supervisor. In one case (ESR11), the inter-sectorial nature of the project requires joint supervision arrangements. Additionally, we made special arrangements for ESRs recruited by the nodes that do not award doctoral degrees (industry and JÜLICH) to enrol at a local academic institution. All such special cases are specifically exposed (green-shaded) and described in Table 3.1.d. Besides their academic excellence, all PIs have ample experience in supervising students – clearly supported by the capacities tables in Section 5. The supervisors assisted by other PIs at the node will not only monitor the progress on the specific research project, but will be responsible for overseeing the general ESRs’ development and for advising them in any way needed. Regular meetings will be set up to discuss the progress of the research and training, including aspects such as safety procedures, scientific conduct, choosing courses in the PhD program, attending NANOTRANS training events, planning secondment periods, inter-sectorial exposure etc. The secondments will be shaped so as to fit into the training program and Career development plan of each ESR (overseen by the Training Committee, see Section 4) and will be carefully discussed by the ESRs, the supervisors, and the PIs at the secondment nodes. 1.3.3 PROGRESS MONITORING A special session of the NANOTRANS Supervisory Board meetings will evaluate the efficiency of training approaches and possibilities of their further development and integration into regular PhD programs at Universities. We will monitor the quality of the training modules by requiring participants to fill out a questionnaire after each module. Six months before the end of NANOTRANS, we will prepare a full-scale self-evaluation report where the success of the educational modes will be examined and recommendations of best practices will be made. We will discuss it with the department heads at the participating universities to assess its implications for similar networks and regular programs in the future.

1.4 QUALITY OF THE PROPOSED INTERACTION BETWEEN THE PARTICIPATING ORGANISATIONS 1.4.1 CONTRIBUTION TO RESEARCH-TRAINING. All participants (including associate partners) will amply contribute to the research and training program. A clear and efficient plan with well-defined roles for each participants has been set up, which will ensure synergetic effects on research and training quality. The Committees will monitor the quality of interactions throughout the network and provide the necessary support and backup plans in case of difficulties. 1.4.2 SYNERGIES. The map of Europe shows the locations of NANOTRANS nodes and the pre-existing scientific connections between them (joint publications and research projects). Red are industrial partners, blue academic. For clarity, partner organizations are not displayed. The diagram on the right shows new scientific collaborations planned within NANOTRANS. The high degree of synergy between NANOTRANS partners is evident from the several existing and planned connections and from the complementarity of the research topics (see also capacities tables in Section 5). NANOTRANS synergetically combines experiments, multiscale modelling and product development to study inter-related problems and their applications: from friction at atomic scale, electrokinetic and phoretic effects, to complex mixtures and polymer flow. Collaborations are based on joint projects and well synchronized research interests. 1.4.3 ESR EXPOSURE TO DIFFERENT ENVIRONMENT. The unique structure of ETN network enables a real exposure of recruited ESRs to diverse research environments: all ESRs will - regardless of the focus of their own research project - frequently interact with experimental, theoretical and applied researchers from the multidisciplinary set of Departments participating in NANOTRANS.


NANOTRANS - ETN


2. IMPACT The fundamental and technological research on transport at the nanoscale is closely related to some of the key environmental challenges as well as to human well-being and disease treatment. NANOTRANS will have an impact on sustainable development of society in three ways: immediate impact following the completion of the research milestones and deliverables, indirect impact by triggering new future research, and by training ESRs who might later become active nanoscientists or entrepreneurs. Generally, in the field of soft matter applications and fundamental research have always coexisted: development of industrial products such as in food industry, technical emulsions, surfactants, pharmaceutical industry, building materials, medical applications, plastics… has only been possible due to the progress made in fundamental research. The same is true for current trends in nanotechnology: there is a clear initiative to produce smaller, faster and more efficient devices, however, the progress is hampered by the lack of fundamental understanding of the key processes. Various reasons may be seen to motivate these novel developments. First, from the point of view of biotechnological (‘‘lab on a chip’’) applications, decreasing the scales considerably increases the sensitivity of analytic techniques, with the ultimate goal of isolating and studying individual macromolecules. From the point of view of fluidic operations, nanoscale allows new functionalities to be developed, using the explicit benefit of the predominance of surfaces. Typical examples involve pre-concentration phenomena, the development of nanofluidic transistors or the recently proposed nanofluidic diodes. From a different perspective, the efficiency of water transport through biological pores is a great motivation to foster research in this direction with the aim of designing efficient energy harvesting technologies. Similarly, novel solutions for energy storage based on ion transport in nanoporous materials are expected. Due to recent advances in experimental methodology and simulation techniques it is nowadays possible to control and design systems at the nanoscale, as well as observe and measure the properties. Consequently, there is an emerging industrial interest in understanding the flow and transport at the nanoscale.

The focus of the network is on training and career development of participating ESRs, but many training and research deliverables will be available to external parties during and beyond the active period of the network.

2.1 ENHANCING RESEARCH- AND INNOVATION-RELATED HUMAN RESOURCES, SKILLS, AND WORKING CONDITIONS TO REALISE THE POTENTIAL OF INDIVIDUALS AND TO PROVIDE NEW CAREER PERSPECTIVES

ESRs recruited within NANOTRANS will be offered a top-quality innovative training that will equip them with excellent opportunities for their future academic or industrial careers. The basis for the research training is a coherent, ambitious and timely research program comprised of a broad set of state-of-the-art research projects supervised by excellent scientists. Clearly defined research collaborations including secondments will enhance the impact of the research and offer interdisciplinary and inter-sectorial experience to the fellows. The Transferable Skills Courses, Workshops, Summer School, and Advanced Training Modules will include advanced scientific topics, hands-on lab exercises, and industrial aspects beyond the standard curricula at Universities. This will result in a balanced and efficient educational program providing top-level scientific training, as well as fostering creativity and entrepreneurial skills. Apart from the acquired knowledge, the main impact of NANOTRANS on the ESRs will be through their frequent contacts with a network of world-leading scientists and entrepreneurs, as well as among themselves, which will ensure a rich international, intersectorial and interdisciplinary experience. The fellows will also gain social and cultural experience of living in a different country.

2.2 CONTRIBUTION TO STRUCTURING DOCTORAL / ESR TRAINING AT EUROPEAN LEVEL AND TO STRENGTHENING EUROPEAN INNOVATION CAPACITY

NANOTRANS will in many ways consolidate EU-wide ties between participating universities, which will contribute to harmonization of the PhD programs across the nodes. A trivial but efficient mode for improving individual teaching methods will be the exchange of classroom experience among PIs, as well as with other faculty and researchers at the nodes. NANOTRANS will capitalize on the recent advances of soft matter and nanoscale science, especially in cross-disciplinary areas such as nanofluidics, colloidal composites, nano- and bio-colloids, and in inter-sectorial topics, e.g. designing advanced functional materials and energy-related applications. In addition, the many open educational activities of NANOTRANS, as well as scientific workshops and NANOTRANS conference, will provide a timely summary of the newest developments, which can improve the way soft matter physics is communicated to undergraduate and graduate students. In fact, several NANOTRANS educational activities may turn out to be suitable for regular PhD courses and in such cases we will do our best to incorporate them. We will publish a case study report that will have a broad impact on the EU academic education beyond the participating Universities.


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2.2.1 NON-ACADEMIC CONTRIBUTION TO DOCTORAL / RESEARCH TRAINING The participating private companies are among globally leading industries in the field of chemical and soft matter industry, particle imaging and characterization. Their full commitment to the projects reflects the scientific excellence, timeliness and industrial relevance of the topics. The private sector participants will be actively involved in all NANOTRANS areas: research & development, training, dissemination, outreach and network management. Most importantly, all recruited ESRs will have ample exposure to the private sector – starting with 3-6 months compulsory internships. The private sector PIs will co-monitor ESRs Career Development Plans and will ensure that industrial aspects are properly represented. The industrial partners will themselves recruit 2 ESRs. Through frequent personal contacts during network events, NANOTRANS ESRs and PIs from industry might build up unplanned collaborations. In case of interest, we will be open to organizing additional secondments, research visits or internships that are not planned in the proposal. Each private sector partner will also organize a two-week training event at their location that will include selected Advanced Training Modules and Transferable Skills Courses, together with safety, IPR and site-specific topics. All this ensures an industry-academia balance that is specific to ETN training and greatly increases the quality of ESR training and their career development.

2.3 EFFECTIVENESS OF THE PROPOSED MEASURES FOR COMMUNICATION AND DISSEMINATION OF RESULTS

2.3.1 DISSEMINATION OF THE RESEARCH RESULTS The major tool for the dissemination of results will be publication in high-impact peer-reviewed journals. The PIs involved in NANOTRANS have a proven track record of publications in prestigious journals such as Nature, Nature Materials, Nature Nanotechnology, Science, PNAS, Physical Review Letters, Nano Letters, ACS Nano, Soft Matter, JACS, Advanced Materials... We anticipate multiple NANOTRANS publications in such top-ranking journals. Apart from scientific publications, the research outcomes will be computer programs, experimental setups, as well as industrial products or applications. Where appropriate, we will file patents or develop the products towards commercialization. The results will be presented at major international conferences (International Liquid Matter & Soft Matter Conference, International Conference on Statistical Physics…), as well as on smaller conferences/workshops. We will ourselves organize a medium-size NANOTRANS conference, which will be an excellent opportunity to disseminate our results. A more open dissemination channel will be the NANOTRANS website, a rapid-access platform to our activities. 2.3.2 EXPLOITATION OF RESULTS AND INTELLECTUAL PROPERTY An important aspect of dissemination will be exploitation of results and protection of intellectual property rights (IPR). We will take the necessary steps towards protecting intellectual property that has a market value through patenting. The Consortium Agreement signed by all parties will precisely define the internal management rules of the consortium and in particular address the issues related to ownership and conditions for exploitation of the results. Invited scientists and external participants will sign a non-disclosure agreement. The central role in providing a smooth implementation of these issues will be played by the NANOTRANS Knowledge Transfer Coordinator who will be informed about potential transferability of research by ESRs and supervisors and will also point out any unseen possibility of future commercialization of discoveries described within the ESR reports. All participating institutions have a strong support structure to ensure effective patenting and exploitation of results (such as Cambridge Enterprise at the coordinator node), which further ensures a functional and smooth plan regarding the knowledge transfer. 2.3.3 COMMUNICATION AND PUBLIC ENGAGEMENT STRATEGY The general public will benefit from NANOTRANS primarily through the outreach activities that will contribute to a greater general awareness of soft matter as an important supradisciplinary field. More specifically, public lectures by selected PIs and ESRs on soft-matter materials and phenomena with an emphasis on their technological relevance will directly address future students. Specific proposed outreach include: • NANOTRANS will launch its publically accessible web page managed by ESRs. It will report on

NANOTRANS scientific achievements, publications, awards, distinctions, upcoming meetings and training activities. It will be a central communication tool for partners (password protected for internal use), and main portal (with open access) for dissemination to the public. We will ensure that the web address is as visible as possible by distributing it to European Universities and other relevant institutions and through national media.

• NANOTRANS will issue periodic press releases to local and national media. Depending on local (national) possibilities, these releases will appear in newspapers, radio or TV, as well as on the web. ESRs will be primarily involved in such activities, which will be a valuable addition to their soft skills training.

• We will write popular science articles in national newspapers or journals and will try to appear on national media like TV and radio via interviews or by contributing to the contents of educational scientific programs.


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The PIs have relevant experience with such activities and will strive to pass it onto the younger scientists. Each ESR will be encouraged to participate in at least one such activity within the training.

• We will produce video-clips with scientific contents related to research. These will especially highlight our results with an important impact on the society. We will embed a YouTube Multimedia Channel in the web page where video-clips, podcasts, and self-made interviews will be available to the public at large.

• NANOTRANS ESRs will actively participate in their role as Marie Skłodowska-Curie Ambassadors. This includes visits of recruited fellows to local schools, universities, community organisations, etc., where they will promote general science and technology, as well as their research field; or assist teachers in preparing and delivering teaching materials. Through such actions we will communicate science to public, inform the public about EU scientific excellence and Marie Skłodowska-Curie actions, as well as contribute to raising the multicultural awareness (the fellows will as a rule be foreign national in the respective countries).

• We will establish links to the local Science centres or similar institutions. Examples include: City of Science (Paris), House of Experiments (Ljubljana), Science Center (Barcelona, Amsterdam and Cologne), Science Museum (Vienna and London), Technical Museum (Berlin) and Technorama (Zürich). We will engage NANOTRANS PIs to organize special topical events within these centres. This will enable us to reach broad public audience and at the same time contribute to the quality of the centres’ programs. We already established a few contacts (Ljubljana, Paris, Zurich, Vienna and Barcelona) and received a positive feedback.

• We will actively participate in Science festivals, which are organized yearly at all nodes participating in NANOTRANS (examples: Cambridge Science Festival: http://cambridgesciencefestival.org, Vienna Long Night of Research: http://www.lnf2012.at/, Slovene Science Festival: http://www.szf.si, etc.). NANOTRANS PIs have actively participated in such activities in the past and will keep up this good practice. ESRs will be encouraged to get involved, so as to improve their communication skills.

• We will organize public science talks on topics related to soft matter and nanotechnology. The titles we suggest are: Soft matter in everyday life (C. Likos), Water (R. Netz), Magnetic fluids (R. Perzynski), Physics of Blood (G. Gompper), Nanofluidics (L. Bocquet). We will add additional lectures to our portfolio. The lectures will be primarily organized at network nodes during annual meetings and will be open to general public. ESRs will be encouraged to get engaged.

• We will organize Workshop Days, or Project Open Days, during which the nodes will be open to public and organize presentations, lab tours and interactive activities in order to the raise the public scientific awareness.

• Most participating Universities run regular Summer Students Programs during which undergraduate students or school pupils spend time in the labs receiving a first-hand research experience. NANOTRANS ESRs will be actively involved in such projects, providing the participating students a first-hand experience about the current research activities, wider scientific issues and a glimpse into EU funding opportunities.

Majority of the ambitious outreach program presented above will be carried out by PIs and ESRs in cooperation with other scientists at local nodes. Throughout the network, the Dissemination and Outreach Committee will monitor the execution of the program and make recommendations for its improvements. Possible deviations from the proposed program will be discussed during the annual meetings. We find that involvement of ESRs in such activities is highly beneficial and will strongly support it – including their additional innovative initiatives. However, through the Training and Outreach Committees we will take care not to overburden them with responsibilities to the extent that this would hinder the progress of their research and training.

3. IMPLEMENTATION

3.1 OVERALL COHERENCE AND EFFECTIVENESS OF THE WORK PLAN

Table 3.1.a Work Package Description for each work package

WP1 NANOFLUIDICS Lead Beneficiary: CNRS, UCAM, COR, UOXF, (UZH, MIT)

Start–End Month: 1-48

Objectives: i) Gain fundamental understanding of flow in nanoconfinement on scales from nm to µm ii) Explore novel measurement techniques for nanoscale and single molecule characterization iii) Apply knowledge to design applications (energy production and storage, filtration, lab-on-a-chip…). Description: WP1 comprises the following ESR research/training projects: P1 (CNRS) Transport of water through single nanotubes; P2 (UCAM) Control of molecular transport by electric fields and mechanical force; P3 (COR) Novel techniques for electrokinetic measurements in colloidal suspensions; P4 (UOXF) Shear of ionic nano-films between graphene sheets; P16 (UZH) Measurements of effective charge on single macromolecules with electrostatic fluidic trap. Deliverables: please see Table 4.2.b for specific WP-related deliverables and their details


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Table 3.1.b Deliverables List

No. Title Nat. Diss. Level

Month

WP No. Lead Participant Description

1.1 Creation of composite-material nanotubes PDE PU 24 WP1 CNRS Report on transport measurements

inside individual nanotubes 1.2 Prototype nanofluidic devices PDE PU 40 WP1 CNRS Osmotic diodes, ionic pumps… 1.3 Novel lab-on-a-chip system for PDE PU 24 WP1 UCAM Achieving complete control of

WP2 MULTISCALE MODELLING Lead Beneficiary: FUB, JGU, CNRS, UCAM, (GU, MIT)

Start–End Month:1-48

Objectives: i) Develop advanced hybrid methods for efficient modelling of transport at the nanoscale ii) Explore phenomena on scales from nm to µm: water structuring, dielectric response, electrolyte dynamics, electrokinetic & acoustoelectric flow … iii) Actively collaborate with experimental projects (WP1 and WP3). Description: WP2 comprises the following ESR research/training projects: P5 (FUB) Multiscale modelling of electrokinetics in nanoconfinement; P6 (JGU) Water interfaces under shear flow from ab initio molecular dynamics simulations; P7 (CNRS) Electro-acoustics in nanocolloidal suspensions and nanopores; P8 (UCAM) Modelling transport of soft confined nano-colloids; P9 (CNRS) Dynamical aspect of ionic correlations in electrolyte suspensions. Deliverables: please see Table 4.2.b for specific WP-related deliverables and their details WP3 MACROMOLECULES AND

THERMODYNAMIC GRADIENTS Lead Beneficiary: UB,

JÜLICH, UNIVIE, UCAM, UNILEVER, (ARESIS) Start–End

Month: 1-48 Objectives: i) Experimentally & theoretically study complex nanoscale phenomena involving macromolecules, polymers, heterogeneous systems and phoretic effects ii) Design novel nanofluidic applications, e.g., particle steering and deposition, diffusiophoresis methods, personal care / household products… Description: WP3 comprises the following ESR research/training projects: P10 (UB) Driven Nematic Colloids for reconfigurable self-assembly; P11 (UCAM) Modelling phoretic effects; P12 (UB) Transport and instabilities of binary mixtures under confinement; P13 (JÜLICH) Transport of semiflexible polymers through structured nanochannels; P14 (UNIVIE) Transport of ring polymers in microfluidic channels; P15 (UNILEVER) Molecular transport and dynamics in particle based colloidal gels. Deliverables: please see Table 4.2.b for specific WP-related deliverables and their details

WP4 TRAINING Lead Beneficiary: JGU, NANOTRANS


Objectives: i) Launch a unique training program based on research excellence, innovation, supervision quality, exploiting the network potential and intersectorial collaboration ii) Create and monitor individual ESR Career development plans iii) Coordinate training activities, secondments and events. Description: Training comprises the following major modes: Regular PhD courses, Training through research, Network-wide Training (Advanced Training Modules, Transferable Skills Courses, Events, Secondments) Deliverables: PhD thesis of all recruited ESRs (typically after the end of the network or close to it); Career Development Plans (created by month 7, monitored throughout NANOTRANS); Summer school (month 15); Advanced training/Transferable skills modules (see Table 3.1.b and Table 1.2.b)

WP5 DISSEMINATION & OUTREACH Lead Beneficiary: UOXF, NANOTRANS


Objectives: i) Dissemination of research results ii) Organization of new dissemination modes: NANOTRANS conference, summer school, workshops and other events iii) Communication of science to general public Description: Dissemination of results is an integral part of scientific research – all NANOTRANS PIs have strong track records of high-impact publications and/or patents and product development. We will pay special attention to communicating science to a broad public audience through several mechanisms (e.g. public lectures, school visits, open days, web page, popular science articles, press release...) described in detail in Section 3. Deliverables: Publications, products, patents, Web site, Outreach activities, Events (see Table 3.1.b)

WP6 NETWORK MANAGEMENT Lead Beneficiary: UCAM, NANOTRANS


Objectives: i) Setting up NANOTRANS ii) Coordinating and quality monitoring of all activities iii) Financial management iv) Data management v) Reporting to EU vi) Promoting inter-sectorial dialogue vii) Risk Management and Contingency Plans viii) Monitoring equal opportunities practises Description: NANOTRANS will be primarily managed by the coordinator node (UCAM), deputy coordination (CNRS) and training coordination (JGU) nodes. See Section 4.2. Industry partners will importantly contribute to the management WP6 and achieving gender balance in management structures will be a high priority. Deliverables: Consortium Agreement (month 1); Intermediate / Periodic / Final reports (according to schedule)


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nanofluidic applications boundaries and nanoparticles

1.4 New data for macromolecular characterization PDE PU 40 WP1 UCAM Translocation experiments of

DNA/proteins in nanochannels

1.5 Feasibility analysis PDE CO 12 WP1 COR Report: bibliographic review +

theoretical feasibility analysis

1.6 Bread board prototype system based on DP-OCT technique PDE PU 30 WP1 COR System for low coherence zeta

potential measurements

1.7 Publish a synthesis method for large-area graphene sheets PDE PU 24 WP1 UOXF Transfer onto optical lenses with

sub-nanometre roughness

1.8 Apparatus for controlling voltage between graphene sheets PDE PU 30 WP1 UOXF Parallel sheets of controlled

separation from 0 - 100 nm 1.9 Macromolecular charge data PDE PU 24 WP1 UZH Precise measurements in nanoslits 1.10 Molecular binding interaction PDE PU 40 WP1 UZH Insights from charge fluctuations

2.1 Commercial program for use by experimental groups PDE PU 18 WP2 FUB Coarse grained simulation code

based on atomistic input

2.2 Prediction for electrokinetic flow and conductivity PDE PU 18 WP2 FUB As a function of driving field,

surface and ionic conditions

2.3 Ab initio MD code PDE PU 18 WP2 JGU Simulating water/H-bonds properties in nanoconfinement

2.4 Newly parameterized atomistic force field PDE PU 36 WP2 JGU Optimization for studying shear

flow of confined water 2.5 New simulation code PDE CO 24 WP2 CNRS MPC/LB code for electroacoustics 2.6 Theory: electroacoustic signal PDE PU 36 WP2 CNRS Report on analytical theory 2.7 Hybrid computational method PDE PU 24 WP2 UCAM Exact el. profiles + fluid flow

2.8 Electrolyte polarization for deformable colloids PDE PU 40 WP2 UCAM Theory of polarization coupled to

fluid flow & particle deformation

2.9 Theory of dynamics of counterion condensation PDE PU 24 WP2 CNRS Derive dynamic correlations in

weak & strong coupling regimes

2.10 Liquid-solid friction in micro-fabrication techniques PDE PU 40 WP2 CNRS Theory of electric correlations and

liquid-solid friction

3.1 Assembly and swarming of microparticles PDE PU 30 WP3 UB Polarized microscopy / particle

velocimetry image analysis

3.2 Assembly and swarming of liquid microplets PDE PU 40 WP3 UB Micrographs of swarms carrying

cargo along reconfigurable paths

3.3 Novel hybrid atomistic/mesoscale method PDE PU 18 WP3 UCAM,

UNILEVER Multiscale computer simulations of phoretic phenomena

3.4 Determination of phoretic coefficient in diffusiophoresis PDE PU 36 WP3 UCAM,

UNILEVER Based on the new simulation method developed within project

3.5 Hybrid simulation code PDE PU 24 WP3 UB Combining hydrodynamics and differential solubility

3.6 Droplets stability in nanofluidic devices PDE PU 40 WP3 UB Prediction for stability based on

simulated binary fluid flow

3.7 Single polymer flow PDE PU 30 WP3 JÜLICH Report on polymer dynamics simulations in nanochannels

3.8 Collective polymer flow PDE PU 40 WP3 JÜLICH Theory of collective transport through structured nanochannels

3.9 Transport of unknotted ring polymers in nanochannels PDE PU 30 WP3 UNIVIE Theory for Taylor dispersion

relation of ring polymer flow

3.10 Nanofilters/separators design PDE PU 40 WP3 UNIVIE Structured nanochannels design for separating knotted polymers

3.11 Solvent evaporation kinetics and particle arrangement PDE PU 30 WP3 UNILEVER Report on systematic exploration

of dynamics in particle-based gels 3.12 Novel personal care products PDE CO 48 WP3 UNILEVER Developed based on particle gels

4.1 ESR Recruitment ADM PU 6 WP4 All Nodes Completed ESRs recruitment procedures

4.2 Career Development Plans for all ESRs ADM CO 7 WP4 JGU Career Development Plans created

4.3 Advanced Training T1–T8 OTH PU 6-48 WP4 see Sec. 1.2.5.3 Training events open to external

participation

4.4 Transferable Skills S1–S8 OTH PU 6-48 WP4 see Sec. 1.2.5.4 Skills Courses open to external

participation 4.5 Summer School OTH PU 15 WP4 All Nodes See Section 2.2.4.5

4.6 16 x PhD thesis PDE PU > 48 WP4 Host nodes

(Table 1.2.a) All ESRs enrol in PhD program and deliver a thesis

5.1 Scientific publications: >100 PDE PU 1 - 48 WP5 All Nodes Research published in high-impact peer-


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reviewed journals. At least 3 publications per ESR + many more from PIs involved

5.2 Products & Patents: > 10 PDE PU 1 - 48 WP5 All Nodes

Some projects will deliver products / patents. We anticipate more than 10 (excluding software products)

5.3 NANOTRANS Web page ADM PU 1 WP5 UOXF Launch of web portal

5.4 Public lectures (4 to 6) PDE PU 6-42 WP5 JGU, UOXF Public lectures on soft matter

5.5 Other outreach activities PDE PU 6-48 WP5 UOXF As detailed in Section 3 5.6 Press Release to Media PDE PU 6 WP5 All Nodes ITN / Marie Curie Actions 5.7 Press Release to Media PDE PU 24 WP5 All Nodes NANOTRANS research/training 5.8 Topical WS: Electrokinetics PDE PU 34 WP5 FUB Discussion meeting 5.9 Topical WS: Nanofluidics PDE PU 35 WP5 CNRS Progress in nanofluidics 5.10 Topical WS: Polymer flow PDE PU 36 WP5 UNIVIE Polymer flow in nanochannels 5.11 Topical WS: Characterization PDE PU 37 WP5 COR Methods: nano-characterization 5.12 Conference PDE PU 42 WP5 All Nodes See Section 2.2.4.6 5.13 School Proceedings OTH PU 48 WP5 JGU Book on soft matter at nanoscale 5.14 Case Study Report R PU 48 WP5 JGU Evaluation of training instruments 5.15 Press Release to Media PDE PU 6 WP5 All Nodes NANOTRANS achievements 6.1 Consortium Agreement ADM CO 1 WP6 All Nodes Consortium Agreement 6.2 Data Management Plan R PU 5 WP6 All Nodes Network-wide plan for data management 6.3 Reporting to the EC R RE 12-48 WP6 UCAM Network activity reports

Table 3.1.c Milestones List No. Title WP

s Month Lead

Beneficiary Description / Verification

NETWORK-WIDE MILESTONES M1 Kick-off Meeting WP6 1 UCAM NANOTRANS network launched M2 Reporting to EU WP6 12,24,36,48 UCAM Intermediate, midterm, final report submitted M3 NANOTRANS Web Page WP5 1 CNRS Web page launched and accessible to public M4 NANOTRANS Press Release WP5 6, 24, 48 NANOTRANS Coordinated press releases M5 Recruitment of ESRs WP4 6 NANOTRANS Recruitment procedures finished M6 Initial Orientation Workshop WP4 7 Training program initiated M7 NANOTRANS Annual Meetings All 11,22,33,44 NANOTRANS Progress evaluation by Supervisory Board M8 NANOTRANS Summer School WP4 15 NANOTRANS Major training event and dissemination M9 NANOTRANS Conference WP5 42 NANOTRANS Major mode of results dissemination

PROJECT-SPECIFIC MILESTONES (Project No.)

M10 Water transport through nanotubes (P1) WP1 12 CNRS Experiments on single CNT/BNNT nanotubes performed

and understood; Design of composite materials started

M11 Composite nanotubes for new nanofluidic applications (P1) WP1 24 CNRS Composite CNT/BNNT nanotubes created, their properties

thoroughly measured in the lab; applications planned M12 Lab-on-a-chip system (P2) WP1 12 UCAM The nanofluidic technique implemented & tested in lab

M13 Molecular interactions and transport in nanochannels (P2) WP1 30 UCAM Experiments on driven colloids performed and theoretically

understood ! basis for macromolecular characterization

M14 Prototype system for measuring single-particle mobility (P3) WP1 24 COR Fully functional prototype based on DP-OCT technique

finished and tested in CNRS labs ! measurements start

M15 Graphene electrode surfaces for SFA experiments (P4) WP1 12 UOXF Routine for setup of SFA experiments developed and tested

with pure organic liquids for expected capacitive behavior

M16 Ionic liquid structure (P4) WP1 24 UOXF Interactions measured and analyzed; Liquid structure as a function of surface potential and dilution understood

M17 Viscous and shear flow in nanoconfinement (P4) WP1 32 UOXF Viscous and shear flow properties of the electrolytes in

nanoconfinement explored for different ionic liquid types

M18 Effective charge of DNA, etc. in fluidic nanoslits (P16) WP1 24 UZH Measurements performed of effective charge/fluctuations

on macromolecules; Molecular bridging understood

M19 Atomistic simulations (P5) WP2 12 FUB Atomistic simulation model developed, tested and applied

to obtain prediction for electrokinetic flow in nanocavities

M20 Efficient transport of water in biological membranes (P5) WP2 30 FUB Theoretical explanation of efficient transport of water

through biological membranes acquired

M21 Ab initio simulations (P6) WP2 12 JGU Simulations performed; Microscopic understanding of water properties in nanoconfinement

M22 A newly parameterized atomistic force field (P6) WP2 24 JGU New force field developed based on ab initio results,

suitable for studying flow of confined water under shear M23 Hybrid multiscale method (P7) WP2 12 CNRS Method combining MD and mesoscopic methods to study


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acoustoelectric effects developed and tested

M24 Quantitative analysis of electroacoustic measurements P7 WP2 24 CNRS Framework created for quantitative analysis of el.-acoustic

measurements ! explore new regimes / applications

M25 Hybrid computational method (P8) WP2 12 UCAM Hybrid method for exact electrostatics combined with fluid

flow and particle deformability developed and tested M26 Electrolyte polarization (P8) WP2 24 UCAM Theoretical understanding of el. polarization achieved

M27 Dynamics of counterion condensation on DNA (P9) WP2 18 CNRS Theoretical understanding of counterion condensation

dynamics achieved and tested in simulations

M28 MD simulations in weak/strong coupling (P9) WP2 24 CNRS Simulations of ion correlations in weak and strong coupling

regimes ! study liquid-solid friction in micro-fabrication

M29 Reversible collective assembly of colloids in liquid crystals P10 WP3 12 UB Experimental technique for assembling colloids in liquid

crystal medium designed and tested M30 Manipulation of inclusions (P10) WP3 24 UB Manipulation technique ready ! study liquid inclusions

M31 Simulations of phoretic effects (P11) WP3 12 UCAM A novel hybrid atomistic/mesoscale method to simulate the

phoretic phenomena: employed and tested

M32 Phoretic coefficients (P11) WP3 24 UCAM Phoretic coefficients in diffusiophoresis determined ! explore effect of electrophoretic and streaming potential

M33 Simulations of binary mixtures (P12) WP3 12 UB Simulation approach combining hydrodynamics and

differential solubility of fluid components realized & tested

M34 Driven flow in porous materials (P12) WP3 30 UB

Flow of driven binary mixtures in porous materials understood ! predict droplets/emulsions stability in nanofluidic devices

M35 Single polymer flow (P13) WP3 18 JÜLICH Transport in structured nanochannels understood

M36 Cooperative polymer flow in nanochannel networks (P13) WP3 30 JÜLICH Cooperative polymer transport through nanochannel

networks explored ! rational design of nanochannels

M37 Ring polymers in nanochannels (P14) WP3 24 UNIVIE

Diffusion, relaxation and transport properties of ring polymers in narrows channels understood through simulations and theory

M38 Nanofilters design (P14) WP3 30 UNIVIE Nanofilters for polymer rings designed by simulations M39 Particle-based gels (P15) WP3 18 UNILEVER Exploration of solvent evaporation kinetics performed M40 New advanced materials (P15) WP3 36 UNILEVER New personal care products ready for commercialization

Table 3.1.d: Individual Research Projects Fellow: ESR1 Host: CNRS PhD enrolment: Y Start Month: 6 Duration: 36 months Deliverables: 1.1, 1.2 P1 Transport of water through single nanotubes WP1 PI: Lyderic Bocquet Collaborators: U. Keyser (UCAM), R. Netz (FUB), B. Rotenberg, M. Jardat (CNRS) Objectives: Our main objective is to perform experiments on fluid and ion transport inside individual nanotubes under diverse forcing (electric fields, pressure drops, etc.). The influence of the confining materials is a key question; we will compare carbon (CNT) and boron-nitride (BNNT) nanotubes with the same structure but different electronic properties. Recent results demonstrate that BNNTs generate huge electric currents under salt gradients49, which will be explored in the context of sustainable energy harvesting (“blue energy”). Composite materials combining suprafriction properties of CNT and electrokinetic power of BNNT will be explored, as well as transport across graphene and h-BN molecular sheets. Novel nanofluidic devices like osmotic diodes or ion pumps will be designed. Expected Results: • In-depth understanding of fluid transport through individual nanotubes and through an array of nanotubes • Creation of composite-material nanotubes with unique properties • Prototype nanofluidic devices: osmotic diodes and ionic pumps Inter-sectorial secondment: External industrial partners interested in clean energy production based on nano-transport (e.g. Solvay, Fujifilm, Veolia, St. Gobain, Shell, Total and Bocquet’s own SME currently being funded) will provide a 6 month ESR secondment towards the end of the project (Month 24, 6 months). Research visits: UCAM, FUB. (Months 12, 18, 32; 1 Month) In Cambridge, ESR will collaborate with U. Keyser on measurements of water flux through individual nanotubes and acquire complementary expertise in nanostructuring techniques and optical methods developed to measure minute flux. In Berlin ESR will learn about molecular dynamics methods and theoretical approaches based on statistical physics developed in the group of R. Netz, in order to propose a model for transport in extreme confinement. Fellow: ESR2 Host: UCAM PhD enrolment: Y Start Month: 6 Duration: 36 months Deliverables: 1.3, 1.4 P2 Control of molecular transport by electric fields and mechanical force WP1

PI: Ulrich Keyser Collaborators: J. Dobnikar (UCAM), I. Pagonabarraga (UB), R. Netz (FUB, L. Bocquet (CNRS), P. Olmsted (GU)

Objectives: We will investigate transport of colloids through nanochannels driven by electric fields and mechanical pressure. The nanochannels will be fabricated by a novel technique based on focussed-ion-beam deposition of Pt wires (developed by the applicant) allowing for creation of channels with varying cross section. Single particles will be imaged with high-speed video detection and manipulated by holographic optical tweezers. In addition, we aim to controllably change the surface of the nanochannels by attaching polyethylene-glycol (PEG) molecules that are linked to positively charged poly-l-lysine chains, which will allow an unprecedented control of the force and translocation speed in the channels. Furthermore, PEG coating will control both the screening of the surface charges and the hydrodynamic boundary conditions for ion movement. We will extend this work to the transport of macromolecules (DNA, proteins). By measuring ionic current and force at the same time, we will map out the complete potential of molecular interactions in nanochannel and provide the first quantitative data on this process.

49 A. Siria, P. Poncharal, A.-L. Biance, R. Fulcrand, X. Blase, S. Purcell, L. Bocquet: Nature 494, 455 (2013)


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Expected Results: • A novel lab-on-a-chip system with complete control of boundary conditions and nanoparticles in nanofluidic applications • Understand the relation between molecular interactions and transport of nano-confined colloids • Single-macromolecule characterization based on analysis of translocation of DNA/proteins through nanochannels Inter-sectorial secondment: COR (Month 24, 3 months) Controlling diffusing agents, characterisation of the zeta potential and diameters of the particles to tune and control the properties down to 0.1 mV and nm diameters. Research visits: FUB (Month 18, 2 months) Modelling transport to understand the role of binding potentials in channels with computers based modelling Fellow: ESR3 Host: COR PhD enrolment: Y Start Month: 6 Duration: 36 months Deliverables: 1.5, 1.6 P3 Novel techniques for electrokinetic measurements in colloidal suspensions WP1

PI: David Jacob Collaborators: E. Dubois, E. Trizac, (CNRS) J. Dhont (JÜLICH), M. Krishnan (UZH), D. Babić (ARESIS) Objectives: In order to circumvent the state-of-the-art limitations in measuring colloidal charge, we propose to explore a new highly sensitive optical technique called Differential Phase Optical Coherence Tomography (DP-OCT). We will thoroughly investigate the theory and physical principles in order to determine accessible performances of DP-OCT and will develop a new electrophoretic measurement system for measuring quasi-individual particle mobility, and determining a complete mobility distribution. We will systematically explore sensitivity, reproducibility, concentration range, spatial resolution, applied voltage, and detection volume of the system and we will deliver a breadboard prototype of the system. At a final stage we will collaborate with other nodes (CNRS, JÜLICH, UZH) to demonstrate the capability of the system to perform high-resolution electrophoretic mobility measurements in various colloidal suspensions: weakly charged colloids, concentrated suspensions, nonpolar and low dielectric constant solvent, etc. Expected Results: • A fully functional prototype system for measuring single-particle mobility based on DP-OCT technique • Novel insights into the electrophoretic behaviour of colloids based on measurements with the new system Inter-sectorial secondment: CNRS (Month 24, 6 months); The ESR will closely collaborate with the CNRS-PHENIX (E. Dubois) where most of the test experiments will be performed. Research visits: JÜLICH (Month 32, 2 months); Prototype and exploiting its commercialization in academic environment CORDOUAN, as a private company, does not award doctoral degrees. ESR3 will enrol into a doctoral program at University Pierre et Marie Curie (part of the CNRS node), where Prof Emmanuelle Dubois will act as academic co-supervisor. Fellow: ESR4 Host: UOXF PhD enrolment: Y Start Month: 6 Duration: 36 months Deliverables: 1.7, 1.8 P4 Shear of ionic nano-films between graphene sheets WP1

PI: Susan Perkin Collaborators: M. Salanne, B. Rotenberg, E. Trizac, L. Bocquet (CNRS), M. Sulpizi, F. Schmid (JGU) The objective of this project is to discover the structure and dynamic properties of ionic electrolytes confined to nano-films between atomically smooth carbon (graphene) plates. The experimental setup will involve modification of a standard Surface Force Apparatus (SFA) to graft large graphene sheets (0.25 cm2) onto standard mica substrates. Electrical connections to graphene sheets will provide control of the surface potential. We will study pure ionic liquids and highly concentrated salts in organic solvents (propylene carbonate or acetonitrile). Methodology for creating the graphene electrode-surfaces is developed in the group, already as a working prototype. This reduces the risk of this otherwise highly innovative experiment: to our knowledge no similar experiment has yet been constructed using graphene/graphite surfaces. Expected Results: • A novel experimental setup for exploration of fluid shear flow in atomistic detail • Understand viscous and shear flow properties of the electrolytes in nanoconfinement for different ionic liquid types Inter-sectorial secondment: FA (Month 24, 3 months) Gaining experience in industrial sector including issues related to IP rights and commercialization of products. Knowledge transfer on transport of ionic liquids / macromolecules in nanoconfinement. Research visits: CNRS (Month 18, 3 months) Work with B. Rotenberg and M. Salanne on theory related to our project. ESR will learn about simulation methods, build up collaboration, and encourage convergence of the experiments and theory/simulation in this area. Fellow: ESR5 Host: FUB PhD enrolment: Y Start Month: 6 Duration: 36 months Deliverables: 2.1, 2.2 P5 Multiscale modelling of electrokinetics in nanoconfinement WP2

PI: Roland Netz Collaborators: L. Bocquet, B. Rotenberg (CNRS), J. Dobnikar (UCAM), I. Pagonabarraga (UB), M. Sulpizi (JGU) Objectives: Our main objective is to develop theoretical tools and methods to quantitatively predict the transport of fluids and ions inside nanotubes and nanocavities in electric fields. The influence and the interplay of the interfacial dielectric and viscosity profiles, which will be extracted from atomistic MD simulations, are central issues. We will import these profiles into coarse-grained models and make quantitative predictions of the electrokinetic flow and the conductivity in nanochannels for various ions, channel size and surface functionalities. In particular, we will compare carbon (CNT) and boron-nitride (BNNT) nanotubes in order to make explicit contact with the experiments done at CNRS. Expected Results: • A computer program for coarse grained simulations based on atomistic input that can be used by experimental groups • Prediction for electrokinetic flow and conductivity as a function of driving field, surface characteristics of the nanotubes and

nanocavities, type and concentration of ions. Inter-sectorial secondment: FA (Month 24, 3 months) Gaining experience in industrial sector including issues related to IP rights and commercialization of products. Knowledge transfer on transport of liquids / macromolecules in nanoconfinement. Research visits: CNRS (Month 12, 1 months, Month 20, 1 months, Month 32, 1 months); Theoretical project at the FUB node is tightly connected to the experiments at CNRS. The ESR will visit Paris once a year for 1 month to fine-tune the theoretical work. The specific tasks are: Visit 1: Basic set up of model and boundary conditions. Visit 2: Comparison of predicted conductivities and electrophoretic mobilities with experiments. Visit 3: Discussion of non-linear effects for high electric fields and ion-specific effects.


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Fellow: ESR6 Host: JGU PhD enrolment: Y Start Month: 6 Duration: 36 months Deliverables: 2.3, 2.4 P6 Water interfaces under shear flow from ab initio molecular dynamics simulations WP2

PIs: Marialore Sulpizi Collaborators: F. Schmid (JGU), B. Rotenberg, M. Salanne, L. Bocquet (CNRS), R. Netz (FUB), S. Perkin (UOXF)

Objectives: This project will move beyond the current exploited approaches by investigating nonequilibrium water interfaces with ab initio molecular dynamics simulations that do not rely on any fitted parameters. The central question we want to address is how different the water structure and dynamics is in nanochannels under shear flow with respect to equilibrium conditions. We will develop models where the full electronic structure details are included in order to understand how the interactions at the solid/liquid interface affect water dynamics, including water reorientation and hydrogen bond dynamics. We want to achieve molecular understanding of water properties in confinement as a function of wall electronic properties, pH and ionic strength. We will compare simulations to standard force field approach, e.g. SPCE water model, and develop a newly parameterized force field that is capable of reproducing ab initio properties under shear flow (we will be following the force matching scheme50). The project has a fundamental as well an applied component. It will provide plenty of information on water properties in interfacial shear flow that will serve as an input for several other NANOTRANS projects. Moreover, the results of this project will be of interest for understanding various other types of nanochannels, e.g. those occurring in zeolites and metal organic framework materials (MOFS). Expected Results: • Microscopic understanding of water properties in nanoconfinement as function of the wall electronic properties • Explain experimental observations (ESR1) of water transport through standard CNTs and boron-nitrite nanotubes • A newly parameterized atomistic force field suitable for studying the flow of confined water under shear Inter-sectorial secondment: COR (Month 24, 3 months) Gaining experience in industrial sector including issues related to IP rights and commercialization of products. Knowledge transfer on transport of liquids in nanoconfinement. Research visits: CNRS (Month 30, 3 months); Cooperation with B. Rotenberg & M. Salanne; applying the new force field to study various transport problems in nanoconfinement. Fellow: ESR7 Host: CNRS PhD enrolment: Y Start Month: 6 Duration: 36 months Deliverables: 2.5, 2.6 P7 Electro-acoustics in nanocolloidal suspensions and nanopores WP2

PI: Marie Jardat Collaborators: B. Rotenberg (CNRS), R. Netz (FUB), D. Frenkel (UCAM), I. Pagonabarraga (UB), R. Pellenq (MIT)

Objectives: We will develop a multiscale theoretical approach to study the acoustoelectric effect by combining molecular dynamics simulations (MD) and mesoscopic simulations of the Lattice-Boltzmann (LB) and Multiparticle Collision Dynamics (MPC) type. Small Keggin ions, well adapted to electroacoustic measurements, will be studied by equilibrium (Kubo formalism) and non-equilibrium MD to analyse the relevant properties on the nanometer scale and derive the input required in coarse-grained models, e.g. hydrodynamic boundary conditions and position dependent permittivities at solid/liquid interfaces. For particle and pore sizes in the tens of nm range, e.g. for iron oxide nanoparticles or nanofluidics, resort to MPC and LB will provide the appropriate compromise between computational efficiency and account of the coupled hydrodynamic and electric phenomena, including the effect of thermal fluctuations. These studies will allow us to improve the electroacoustic measurements and the current macroscopic models to a point where they can interpret the experimental signal beyond idealized situations. We will also provide insights into complementary techniques, e.g. conductivity measurements and dielectric spectroscopy, and anticipate future technological developments by investigating regimes that are to date not reachable by electroacoustic devices (e.g. large frequencies). Expected Results: • Hybrid multiscale method combining MD and mesoscopic methods to study acoustoelectric effects • Framework to quantitatively analyse electroacoustic measurements beyond idealized assumptions • Exploration of high-frequency regimes to date not reachable by electroacoustic devices Inter-sectorial secondment: COR (Month 24, 3 months) Gaining experience in industrial sector including issues related to IP rights and commercialization of products. Application of numerical simulations towards design and development of measurement device. Research visits: FUB (Month 10, 2 months) Collaboration on simulations of electroacoustic phenomena. ESR will get an important input from atomistic simulations that will be essential in proper formulation of electroacoustic modelling. Fellow: ESR8 Host: UCAM PhD enrolment: Y Start Month: 6 Duration: 36 months Deliverables: 2.7, 2.8 P8 Modelling transport of soft confined nano-colloids WP2

PI: Jure Dobnikar Collaborators: D. Frenkel (UCAM), I. Pagonabarraga (UB), F. Schmid (JGU), B. Rotenberg, E. Trizac (CNRS), G. Gompper (JÜLICH), M. Krishnan (UZH), E. Del Gado, P. Olmsted (GU)

Objectives: We will use computer simulations to study the electrokinetic flow and electrophoretic mobility of soft deformable nanocolloidal particles driven by external electric fields. We will combine efficient methods for calculating electrostatic potentials in equilibrium (Poisson-Boltzmann solver based on successive over-relaxation for monovalent electrolyte) with mesoscopic Lattice Boltzmann scheme to treat fluid and charge flow. The first goal is to understand the polarization of the electrolyte medium around charged particles in an external DC field resulting in effective multipolar interactions among the particles. We will particularly focus on polarization effects in confinement, e.g. in nanochannels or near the walls and corners. This is tightly connected to experimental projects (ESR2 and ESR5). The role of particle deformability will be investigated by combining the described methods with an elastic model for soft colloids. Finally, we will explore the role of electrokinetic effects in polyelectrolyte brushes / nanoparticle mixtures. Expected Results: • Hybrid computational method for exact electrostatic profiles combined with fluid flow • Theoretical understanding of electrolyte polarization around charged colloids in external fields and in confinement • Observation of novel phenomena due to coupling of particles’ deformability to the electrokinetic flow

50 S. Fritsch, R. Potestio, D. Donadio and K. Kremer, J. Chem. Theory Comput. 10, 816 (2014)


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Inter-sectorial secondment: FA (Month 24, 3 months) Gaining experience across sectors related to IP rights and commercialization of products. Collaboration on designing novel devices for protein characterization; exploring biomedical applications. Research visits: UB (Month 12, 1 month) I. Pagonabarraga will supervise the implementation of Lattice Boltzmann simulation method UZH (Month 18, 1 month) Collaboration with experiments (M. Krishnan) on confinement-induced attraction. GU (Month 30, 1 month) Collaboration with E. Del Gado & P. Olmsted on microrheology in polyelectrolyte brushes Fellow: ESR9 Host: CNRS PhD enrolment: Y Start Month: 6 Duration: 36 months Deliverables: 2.9, 2.10 P9 Dynamical aspect of ionic correlations in electrolyte suspensions WP2

PI: Emmanuel Trizac Collaborators: R. Netz (FUB), J. Dobnikar (UCAM), L. Bocquet (CNRS), E. Del Gado (GU), R. Pellenq (MIT)

Objectives: Analytically and numerically analyse non-equilibrium behaviour of strongly correlated ionic condensates. We will address the transient evolution towards equilibrium and the steady state in external electric fields. We will study the dynamics of counter-ion condensation, which has been barely studied, and is of particular interest in locally cylindrical colloids (e.g., DNA), with the occurrence of Manning-Oosawa condensation. Molecular Dynamics simulations will be performed for the Coulombic coupling parameter tuned from weakly to strongly coupled case (especially the intermediate crossover regime is relevant for applications). These will provide a valuable test bench for the analytical study of the strong-coupling regime. We will explore the scenario for formation of charged complexes, starting from a homogeneous electrolyte and the interplay between ionic correlations and the liquid-solid friction properties that usually affect the electrokinetic behaviour. Understanding flows at small length scales, especially the role of electric correlations on liquid-solid friction, is a basis for many micro-fabrication techniques. In particular, coupling between pure wetting and “charge-mediated” effects provides a rich venue for investigations, at least from a simulation viewpoint. PI’s outstanding experience in electrostatics, including recently introduced Wigner Strong Coupling methods51, will ensure a state-of-the-art training. Expected Results: • Theoretical understanding of the dynamics of counterion condensation on DNA • Molecular dynamics simulations of ion correlations in weak and strong coupling regimes • Relation between electric correlations and liquid-solid friction in micro-fabrication techniques Inter-sectorial secondment: UNILEVER (Month 24, 3 months) Gaining intersectorial experience including IP rights and product commercialization. Exploring potential applications of theoretical research in food-related technologies. Research visits: FUB (Month 18, 1 months); MIT (Month 30, 1 month); GU (Month 31, 1 month) In Berlin ESR will work on MD simulations. The two secondments at MIT/GU will be combined into one visit to USA aiming at improving our understanding of cement's thermodynamics where Coulombic effects are prevalent. Fellow: ESR10 Host: UB PhD enrolment: Y Start Month: 6 Duration: 36 months Deliverables: 3.1, 3.2 P10 Driven Nematic Colloids for reconfigurable self-assembly WP3 PI: Francesc Sagues Collaborators: J. Dobnikar (UCAM), D. Babić (ARESIS), K. Velikov (UNILEVER), P. Olmsted (GU) Objectives: We will design a novel electro-optical technique for reversible directed assembly of colloidal inclusions of arbitrary shape and composition dispersed in a nematic liquid crystal (NLC). We will use liquid crystal-enabled electrophoresis (LCEEP)52 to propel the colloidal inclusions embedded in a NLC cell, and a photosensitive anchoring layer to modify the local director field, which, in turn, will set the direction of particle motion. For LCEEP to be effective, the configuration of the NLC director around the inclusions must have a dominant dipolar component. This can be achieved by imposing boundary conditions perpendicular to the surface of spherical inclusions, or by using anisometric particles with planar or tilted boundary conditions. Preliminary results demonstrate that by employing a NLC material with negative dielectric anisotropy, arbitrary in-plane orientations of the director field can be locally imprinted. We will explore this strategy and extend it to study liquid-based inclusions, both oil- and water-based, exploring the best option for surfactant to determine a robust surface anchoring. We will investigate the ability to drive inclusions in swarms to arbitrary positions over areas in the square cm range. Finally, we will develop a coarse-grained model to explain the observed swarm dynamics. Expected Results: • A novel experimental technique for reversible and controllable collective assembly of colloids in liquid crystal medium • Manipulation of liquid-based inclusions such as oil droplets • Theoretical understanding of the observed swarming dynamics and self-assembled patterns Inter-sectorial secondment: ARESIS (Month 24, 3 months) The purpose of secondment to ARESIS (associate private-sector partner) is two-fold: ESR will be exposed to the environment of a small industrial company specializing on colloidal imaging and manipulation and will learn about requirements for building commercial lab systems. At the same time, the secondment will be an opportunity to explore possible commercialization routes of our research results. Fellow: ESR11 Host: UCAM PhD enrolment: Y Start Month: 6 Duration: 36 months Deliverables: 3.3, 3.4 P11 Modelling phoretic effects WP3

PI: Daan Frenkel Collaborators: P. Warren (UNILEVER), J. Dobnikar (UCAM), I. Pagonabarraga (UB), B. Rotenberg, L. Bocquet (CNRS)

Objectives: The Unilever/Cambridge team aim to provide training of ESRs in the modelling of phoretic effects. Particularly, we aim to be able to predict the magnitude of phoretic coefficients on the basis of atomistic simulations. To do this we will build on classical theories of phoresis, and we will develop the necessary atomistic and mesoscale simulation methods. The project will initially consider uncharged solutes. As surface-active materials are usually charged, it will become important to consider electrophoretic and streaming potential effects at a later stage. Expected Results: • A novel hybrid atomistic/mesoscale method to simulate the phoretic phenomena • Determination of phoretic coefficient in diffusiophoresis • Understanding the effect of electrophoretic and streaming potential Inter-sectorial secondment: UNILEVER (Month 24, 6 months) Work on the joint research project and gaining experience in industrial environment including product development, safety and IP rights issues.

51 L. Samaj and E. Trizac, Phys. Rev. E 84, 041401 (2011) 52 Lavrentovich, O.D., I. Lazo, and O.P. Pishnyak, Nature 467, 947 (2010); Lavrentovich, O.D., Soft Matter 10, 1264 (2014)


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This is a joint project between UNILEVER and UCAM nodes. ESR will be based at University of Cambridge where s/he will enrol in PhD program with Daan Frenkel as supervisor and Patrick Warren as co-supervisor. The strongly inter-sectorial project will focus both on exploring fundamental aspects of phoretic phenomena, as well as on developing novel industrial applications of diffusiophoresis. Thus, a dual track approach to supervision is vital. Co-supervisor will frequently visit University of Cambridge as a visiting scientist. The 6 months secondment at UNILEVER will, besides research progress, provide complementary expertise in atomistic simulations, as well as a real exposure to industrial environment that will be valuable in ESRs future career. Fellow: ESR12 Host: UB PhD enrolment: Y Start Month: 6 Duration: 36 months Deliverables: 3.5, 3.6 P12 Transport and instabilities of binary mixtures under confinement WP3

PI: Ignacio Pagonabarraga Collaborators: E. Trizac, B. Rotenberg (CNRS), F. Schmid (JGU), D. Frenkel, J. Dobnikar (UCAM), G. Gompper (JÜLICH), P. Olmsted (GU)

Objectives: We will analyse the implications of wetting to control driven binary mixtures flow in confined geometries like porous media, and to destabilize fluid fronts and study their potential to generate drops and emulsions in micro and nanofluidics. We will also analyse the role of electrolyte transport under confinement and its implications in dynamic wetting including the effects of external electric fields as a complementary tool to control fluid flow and promote instabilities in forced fluid interfaces in confinement. As the dimensions of devices are decreased, thermal fluctuations have an increasingly important effect on fluid kinetics. We will explore the interplay of thermal fluctuations and dispersion forces. Numerical simulations will be based on a flexible scheme, which accounts for hydrodynamics and for the differential solubility of the electrolyte for the two immiscible fluids, which will allow exploring on the same footing the interplay between the relative affinity of the electrolyte and the forced wetting of fluid interfaces in complex geometries. Expected Results: • A novel simulation approach combining hydrodynamics and differential solubility of fluid components • Understand the flow of driven binary mixtures in porous materials • Predict the stability of droplets and emulsions in nanofluidic devices Inter-sectorial secondment: UNILEVER (Month 24, 3 months) Gaining intersectorial experience including IP rights and product commercialization. Exploring potential applications of theoretical research in food-related technologies. Research visits: CNRS (Month 20, 2 months); UCAM (Month 30, 2 months) A close collaboration with PIs from Barcelona, Cambridge and Paris will materialize in 2 visits where ESR will be trained in complementary topics, e.g. electrostatic correlations, flow in thermal gradients, acoustoelectric effects etc. Fellow: ESR13 Host: JÜLICH PhD enrol.: Y Start Month: 6 Duration: 36 months Deliverables: 3.7, 3.8 P13 Transport of semiflexible polymers through structured nanochannels WP3

PI: Gerhard Gompper Collaborators: C.N. Likos (UNIVIE), J. Dobnikar (UCAM), I. Pagonabarraga (UB) Objectives: Theoretically understand transport properties of semidilute solutions of semiflexible polymers confined in structured nanochannels with periodically varying cross-section. Such flow geometries are closely related to polymer translocation through nanopores. We will apply a hybrid simulation approach combining MD simulations of polymers with the multiparticle collision dynamics (MPC) method for the fluid53. We will study the flow of a single polymer in a narrow structured channel and explore how the transport properties and polymer deformation vary with the chain stiffness. This knowledge will be useful for controlling the flow in nanochannels and nanochannel networks. In wider channels, interactions between polymers become important at finite polymer concentrations. For example, polymers of different molecular weight move with different velocities. We will investigate such cooperative transport with special interest in the competition between (length-dependent) migration of polymers across streamlines, the entropic repulsion by neighbouring chains, and flow-induced focusing. DNA molecules are highly charged, but the charges are strongly screened under physiological conditions. Such polyelectrolytes can be exposed to a combination of fluid flow and electric field, which provides an additional control of their migration properties in channels. Here, Coulomb and hydrodynamic interactions as well as polymer deformation in the flow field determine the transport properties. Expected Results: • Understanding the transport properties and conformations of a single polymer in a narrow structured nanochannel • Understanding cooperative polymer transport through nanochannels and nanochannel networks • Predicting the effects of external electrical field and rational design of nanochannels with specific target properties Inter-sectorial secondment: UNILEVER (Month 24, 3 months) Gaining intersectorial experience including IP rights and product commercialization. Exploring potential applications of theoretical research in food-related technologies. Research visits: UNIVIE (Month 18, 2 months); UCAM (Month 30, 2 months) The visits to Vienna and Cambridge will strengthen the planned research collaborations between the nodes. ESR will profit from interacting with PIs at the node and from acquiring complementary knowledge, e.g. theory and coarse-graining of polymers (UNIVIE) and advanced Monte Carlo simulations (UCAM). The Forschungszentrum Jülich does not award doctoral degrees but has arrangements with surrounding universities. In our case, ESR will graduate at the University of Cologne, where Prof Gompper has a joint appointment. Fellow: ESR14 Host: UNIVIE PhD enrol.: Y Start Month: 6 Dur.: 36 months Deliverables: 3.9, 3.10 P14 Transport of ring polymers in microfluidic channels WP3

PI: Christos N. Likos Collaborators: G. Gompper (JÜLICH), J. Dobnikar (UCAM), P. Olmsted (GU) Objectives: Our main objective is to quantitatively analyze the properties of pressure-driven flow of polymers with no free ends (ring polymers) through smooth and structured microfluidic and nanofuidic channels. We will take full account of monomer-monomer interactions and bond-uncrossability constraints, as well as of hydrodynamic interactions by employing suitable hybrid simulation schemes, i.e. Stochastic Rotation Dynamics (SRD)54. The objectives are to understand the conformations, diffusion and relaxation of ring polymers under flow, to quantify the ways in which the topology of a closed loop affects the same and differentiates them from linear chains, and to take proper account of the role of knots on transport through narrow and patterned channels.

53 R. Kapral, Adv. Chem. Phys. 140 89 (2008); G. Gompper, T. Ihle, D.M. Kroll, and R.G. Winkler, Adv. Polym. Sci. 221 1 (2009) 54 L. Cannavacciuolo, R. G. Winkler and G. Gompper, EPL 83, 34007 (2008); R. Chelakkot, R. G. Winkler and G.Gompper, EPL 91, 14001 (2010)


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Expected Results: • Understand the diffusion, relaxation and transport properties of unknotted ring polymers in narrows channels • Model knotted polymers and explain the effect of the topology on transport • Design of nanofilters that separate rings with different knotedness Inter-sectorial secondment: ARESIS (Month 24, 3 months) Gaining intersectorial experience including IP rights and product commercialization. Exploring potential design of novel experimental equipment for imaging polymer flow. Research visits: JÜLICH (Month 12, 2 months & Month 20, 2 months) The ESR will obtain highly valuable experience through interactions with the experts in hybrid simulation scheme (Stochastic Rotation Dynamics) working in Jülich. Fellow: ESR15 Host: UNILEVER PhD: Y Start Month: 6 Dur.: 36 months Deliverables: 3.11, 3.12 P15 Molecular transport and dynamics in particle based colloidal gels WP3

PI: Krassimir Velikov Collaborators: J. Dhont (JÜLICH), D. Frenkel (UCAM), F. Sagues (UB), P. Olmsted (GU) Objectives: We will investigate solvent and particles dynamics in particle-structured soft matter systems. The role of solvent evaporation and/or migration on the rheological behaviour and stability will be investigated in gels structured with colloidal particles. The structure and dynamic non-equilibrium states will be studied in respect to phenomena such as spreading and deposition on soft and hard (biological and synthetic) substrates, rheology (i.e. shear thinning and structure rejuvenation) and phase stability (i.e. syneresis, integrity of a single gel-like phase or formation of shear gel particles). The kinetics of solvent evaporation will determine nanoscale dimensions in the particle gels. We will study dynamic re-arrangement of single particles and particle network, concentration gradients that can trigger diffusiophoresis or gel contraction, and the effect of fluid and particle dynamics on the coupling of mechanical stresses between gel and soft substrates and interfaces (e.g. oil-water interfaces in emulsions). Electrostatic correlations are particularly important in systems with high ionic strength in the presence of multivalent ions and polyelectrolytes. These interactions can be strongly influenced by solvent composition, which will be explored within this project as well. Finally, the generated in-depth understanding of colloidal phase behaviour in particle-based gels is expected to trigger tremendous development of new materials and applications (e.g. personal and household care products) that will constitute the final part of our project. Expected Results: • Performed systematic exploration of solvent evaporation kinetics and dynamic particle arrangement in different conditions • Development of new materials for advanced personal and household products Inter-sectorial secondment: JÜLICH (Month 24, 6 months) The ESR will get an opportunity to experience the academic environment, to have access to state-of-the-art experimental techniques available in JÜLICH, and be trained by world-class scientists. UNILEVER, as a private company, does not award doctoral degrees. The arrangement for ESR15 is to enrol into a doctoral program at Utrecht University, where Prof Velikov has a joint appointment.

3.2 MANAGEMENT STRUCTURE AND PROCEDURES


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3.2.1 NETWORK ORGANIZATION AND MANAGEMENT STRUCTURE NANOTRANS consortium held several preparation meetings with participation of all nodes including the private sector partners. It will be managed transparently and efficiently through a well-defined management structure (see Figure). The formal decisions will be made by the Supervisory Board at General Assembly Meetings during NANOTRANS annual meetings or at other specified times if needed. The Executive Board headed by the network coordinator will coordinate the operational tasks and will be assisted by five Committees that will oversee the quality of network activities. All management committees are headed by experienced and committed PIs so as to ensure the highest possible quality of risk management. We paid special attention to a balanced gender composition and an appropriate participation of the private sector in all management structures. 3.2.1.1 The Supervisory Board will comprise representatives of beneficiaries and partner organizations, 3 ESR representatives and 10 external members as independent referees of the network (distinguished researchers and entrepreneurs elected at the Kick-off meeting). Active involvement of private sector in the supervisory board will ensure an adequate balance between academic and technological training that will enhance the intersectorial employability of the ESRs. During the annual meetings, the Supervisory Board will assess the quality of research, supervision and training, and suggest potential modifications. It will oversee any risk management measures prepared by the relevant committees. The Supervisory Board will promote active and continuous communication and exchange of best practice among all partners to maximise the benefits of the partnership. 3.2.1.2 Executive Board will perform coordination and operational tasks and make quick decisions on matters where formal approval of the Supervisory Board is not essential. Members of the Executive Board are representatives of all participating nodes with clearly specified responsibilities (see previous page). The composition of the board is balanced regarding to academic/private sector, seniority and gender of the PIs, and all its 15 members are excellent and highly respected scientists/entrepreneurs. The Executive Board will be chaired by the Network coordinator, Prof Jure Dobnikar, who is a well-renowned scientist characterized by originality, depth and breadth of themes in soft matter science, as well as by numerous collaborations with the leading groups across Europe and the United States. He enjoys a high respect among his peers and has proven leadership and management abilities, which have been amply demonstrated, e.g. by his function as the Deputy Coordinator of the ITN-COMPLOIDS. The Deputy coordinator, Dr Benjamin Rotenberg has demonstrated excellence by a track record of high-impact publications and collaboration with industry. His outstanding management skills were demonstrated by his contribution to setting up the proposal and organizing network preparatory meetings.

3.2.1.3 NANOTRANS Committees: The Training Committee is of central importance for the network. It is composed of distinguished scientists whose training experience, organizational skills, and proven engagement will be instrumental in synchronization of all educational efforts. The Training Coordinator Prof Friederike Schmid (Mainz) is a head of the Condensed Matter theory group at JGU and one of the leading soft matter scientists. She has an outstanding experience with teaching and supervising students. Prof Paul Madden (Oxford) will monitor the Career Development Plans. The Research Committee will ensure that the ambitious research program is executed to a high standard. In case of deviations from the work plan, the committee will discuss with PIs/ESRs and create contingency plans. Prof Daan Frenkel (Cambridge) has agreed to chair the Research Committee, which by itself guarantees its efficient functioning. Within the committee, Prof Gerhard Gompper will coordinate dissemination practices in NANOTRANS and Prof Francesc Sagues will overview Data Management Procedures. The Recruitment and Equal Opportunities Committee chaired by Prof Christos N. Likos (Vienna) assisted by an excellent administrative support at University of Vienna will have a dual task: it will coordinate the recruitment procedures within the first 6 months of the network. Once the recruitment of ESRs is finalized, the committee will monitor network-wide equal opportunities practices (Prof Ignacio Pagonabarraga (Barcelona) will be appointed to handle this task). In case of disagreements or misconduct, the committee will act as a resolution body. The Industry Liaison Committee will be crucial to maintain the cross-sectorial dialogue and to ensure that the private sector role in training is fully realized. Chaired by industry representative, Dr David Jacob (COR), the committee will oversee the quality of inter-sectorial secondments and other inter-sectorial aspects. One of its main tasks, overseen by Prof Krassimir Velikov (UNILEVER), will be to encourage innovative thinking and exploitation of research results in ESRs – including creating start-ups. Within this committee, the Knowledge Transfer Coordinator Dr Tuomas Knowless (FA) will – together with the Cambridge Enterprise (CE) – ensure that the protection of the intellectual property is appropriate. The Events & Outreach Committee will be chaired by Prof Susan Perkin who has a demonstrated track record in organizing scientific meetings and in her involvement in communicating science to general public. The committee will oversee organization of NANOTRANS events (Prof Roland Netz) and outreach activities.


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3.2.1.4 Communication & Coordination Activities. We use the following main communication modes: • We will set up a website with general information and news such as lecture schedules, syllabi & material,

schools, conferences, secondments, etc. The website will include a research-dedicated part with a discussion forum devoted to technical aspects, a list of facilities, and a preprint archive

• NANOTRANS will organize 3-4 day annual meetings of all members, which will include talks and poster presentations by all participants and the General Assembly dedicated to monitoring and steering of the network. External members of the Supervisory Board will offer their critical assessment on the progress

• The Executive Board and the Committees will hold regular monthly internet meetings to discuss research, training, ethical, financial or organizational issues without the need to travel.

• We will organize short management meetings during major conferences where several PIs participate. 3.2.1.5 NANOTRANS financial management. Each node will receive, manage, and carry the sole responsibility for funds allocated to the personnel including research funds, participation and corresponding overheads. The coordinator node will receive funds from EU and distribute them without delay to the nodes, as specified in Contract Forms. University of Cambridge research administration office will provide the necessary support in dealing with financial issues. A part of the budget of each node will be allocated to supporting network-wide activities. This will be discussed during the Kick-off meeting and specified in the Consortium Agreement. Nodes will receive management funds to cover the costs of audit inspection, attending the General Assembly, and overheads. The coordinator node will require additional funds for management support. Any remaining management budget will be allocated to other nodes based on actual expenses. 3.2.2 RECRUITMENT STRATEGY Recruitment and employment practice will be in line with principles set forward in the European Charter for Researchers and in the Code of Conduct for the Recruitment of Researchers. Recruited ESRs will be employees of their host institutions. There will be a common advertisement for all positions on dedicated websites: NANOTRANS WEB PAGE, EURAXESS, EU Marie Curie site, host institutions’ websites, as well as job listing sites in all EU states. We will also advertise in widely read scientific journals (Science, Nature, Nano Letters, Soft Matter…), and via e-mail to colleagues worldwide. Advertisements will contain a description of the working conditions and entitlements, including career development prospects, a list of PhD courses available at the nodes, and a list of specific projects with a description of competencies required that will be broad-enough as to encourage all suitable applicants with a broad range of backgrounds. The application procedure will be electronic with central submission administered by the Recruitment & Equal Opportunities Committee. After the call deadlines, the committee will evaluate the candidates’ eligibility regarding their formal qualifications, research experience and transnational mobility. The applications of eligible candidates expressing an interest in a particular project will be forwarded to the respective PI, who will prepare shortlists, interview and select the best candidate to whom the position will be offered. The foremost selection criterion is academic quality (as evidenced by the application letters, CVs, and two academic references) but preference will be given to underrepresented groups in case of equal qualifications. PIs will submit a short report to the committee who will coordinate second-step selection among the qualified candidates not selected at their preferred node. The recruitment decisions will be taken within three months after the call deadline and all candidates will receive an answer. If some places are still available, we will continue to advertise positions until filled.

-6 -4 -2 0 month relative to ESR recruitment Advertise Re-advertise if positions unoccupied

8 weeks closing Shortlist / Interview /Appoint Recruitment committee ⇔ PIs Employment of ESRs 0 1 2 3 4 5 6 estimated project month

3.2.3 PROGRESS MONITORING AND EVALUATION OF INDIVIDUAL PROJECTS ESRs and PIs will submit an activity report for each project to the Training Coordinator prior to the annual meetings. It will report on research progress relative to the milestones (Table 3.1.c), the achieved deliverables (Table 3.1.b), training activities undertaken, secondments, and other aspects such as collaborations and contribution of specific results to global network goals. The Training, Research and Industry Liaison committees will review the reports and present their conclusions to the Supervisory Board. During the annual meetings we will organize individual sessions with ESRs to discuss their reports and Personal Career Development Plans. 3.2.4 INTELLECTUAL PROPERTY RIGHTS AND DATA MANAGEMENT Intellectual Property Management and protection of Intellectual Property is of crucial importance. The interaction, rights and obligations of all consortium partners will be described in detail in the Consortium Agreement that will be prepared by the partners’ legal departments and signed by all partners prior to launching the network. While access to background information is granted to all participants carrying out project work on a royalty-free, fair and


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nondiscriminatory basis, the participants that have contributed to its creation will jointly own the foreground information. Access to any foreground knowledge will be royalty-free during the execution of the project - any use of it outside the project may be subject to licensing on fair and reasonable conditions. All background information necessary for the execution of the work program and shared by project participants will be defined before the kick-off, and all identification and exclusion of background from the project will be made in writing in the CA. In cases where special assistance is needed (in particular for the academic partners in this project) we can call on professional help from the IP rights offices at the participating institutions, who have expert knowledge in the subject. Specifically, UCAM has a fully owned subsidiary, Cambridge Enterprise (CE), which initiates and promotes the transfer to the global marketplace of research findings and innovative technologies. By engaging at an early stage with CE, we aim to ensure that all IP resulting from the proposed research is properly protected. Equally important, CE has an excellent track record in identifying potential investors and/or industrial partners. Other nodes have access to similar resources to address IP issues, e.g. CNRS (Innovation and Business Relations Department), UB (Fundació Bosch i Gimpera) etc. Moreover, all private sector partners have extensive experience with IP protection within academic institutions, commercial organisations and as part of collaborative projects involving both. This experience will be invaluable to ensure both adequate IP protection and the academic partners’ right to disseminate key research results in a timely manner. NANOTRANS Knowledge Transfer Committee will engage in collaborative dialogue with partners’ offices whenever necessary. The committee will be chaired by Knowledge Transfer Manager. We identified Prof. Tuomas Knowless (UCAM and FA) as an ideal candidate for this key function: he is active in both sectors and has ample experience in inter-sectorial project management. Being based in Cambridge, he will be able to efficiently interact with CE. We will establish a Data Management Plan within the first 6 months of the project. The project will take advantage of the repository that will be created at UCAM to develop a unified storage and data exchange platform. We will follow the guidelines set in Establishment of a data management strategy and follow up along the project consulting the Pilot on Open Research Data in Horizon 2020 (http://ec.europa.eu/research/participants/data/ref/h2020/grants_manual/hi/oa_pilot/h2020-hi-oa-pilot-guide_en.pdf). The Executive Board will periodically analyse the progress and will take actions whenever there is an issue. 3.2.5 RISK MANAGEMENT We have incorporated several levels of risk management into the management structure. PIs and ESRs at the local nodes will deal with unforeseen problems related to research progress or training. In case the problem persists, the Committees will discuss it and prepare a report to the Supervisory Board. The Committees will deal with any potential issue related to dissemination of results, IPR, supervision quality and equal opportunities. Finally, project officers in Brussels will be contacted when issues are hard to resolve despite all the efforts.

Description of risk WP Proposed risk-mitigation measures Recruitment risk (not all ESRs recruited within the first year) Likelihood: medium; Impact: high.

1–4 Joint recruitment, pre-identification of candidates, network-wide support for integration of researchers. As a last resort, shorter sub-projects can be defined and some ESRs recruited for periods less than 36 months.

Numerical methods of choice not suitable to deliver required results; Likelihood: very low; Impact: high

2, 3

PIs have broad expertise in relevant simulation methods, so it is likely that a suitable alternative will be found quickly in case of problems. The range of complementary methods and expertise available within the network is an assurance that the progress in modeling is not at stake.

Material to build nanotubes does not perform as expected in upscaling; Likelihood: medium; Impact: high

1

Exploit expertise of experimental teams (CNRS) to explore a variety of materials to find alternatives and to gain a broader perspective.

Stable gradients for prototype protein analysis can not be achieved; Likelihood: low; Impact: medium

3

Explore the effect of the chip architecture with computer modelling (P5, P6, P8) and use designs that provide laminar flows and are scalable for industrial applications.

Milestones not reached or some deliverables not delivered; Likelihood: low; Impact: high

4

NANOTRANS milestones are well planned and realistic. Nevertheless, ambitious research is prone to surprises. Scientific Committee will regularly review progress and suggest alternative approaches when needed. Supervisory Board will discuss such issues in network meetings.

Unsatisfactory progress of some ESRs along the milestones; Likelihood: medium; Impact: high

4

Best avoided by careful candidate selection, reasonable milestones and by active supervision including network-wide reporting. Research and Training Committees will discuss problems not resolved at the nodes.

Hindrance in translation to commercial products; Likelihood: medium; Impact: medium

3, 4 Analyse alternative strategies with Knowledge transfer coordinator and Industry Committee – making use of management expertise in private sector partners and in Cambridge Enterprise.

Conflicts assigning IP agreements 6 Carefully prepared Consortium Agreement should largely prevent this.


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Likelihood: low; Impact: medium. Knowledge transfer coordinator will ensure that standard procedures are properly interpreted at all partner nodes.

Risk of scientific misconduct Likelihood: very low; Impact: very high

1-3 We will show zero tolerance for scientific misconduct and nominate a task group (Section 3.2.7) in case it is detected in NANOTRANS. The Supervisory Board will evaluate the report and decide on further steps.

Conflicts between PIs and/or ESRs Likelihood: very low; Impact: very high

1-3 Conflicts not resolved at the nodes will be passed to Training and Equal Opportunities Committees who will conduct interviews and strive to resolve the misunderstandings.

3.2.6 EQUAL OPPORTUNITIES NANOTRANS will recruit researchers on equal-opportunity basis with respect to gender, race, nationality, and ethnicity. With a sizable share of female investigators participating in the network, its boards and committees, a welcoming environment promoting the participation of women in science is provided. We aim at a balanced gender composition with 50% of female recruited fellows. We will emphasize the importance of equal-opportunity attitude in all of our actions, especially in the outreach activities addressing general public and trigger general discussions along the lines set forth in the Gender Innovations Project (http://genderedinnovations.stanford.edu/). Finally, the broad geographical spread of the nodes across EU assures a balanced character of NANOTRANS at all levels. We will actively encourage the participation of candidates from less favoured regions of ERA. Recruitment & Equal Opportunities Committee will oversee the network-wide equal opportunities policies and act as a resolution centre in case of disagreements or misconduct. 3.2.7 MANAGING SCIENTIFIC MISCONDUCT We will show zero tolerance towards scientific misconduct of any kind. If it happens, the Scientific and Equal Opportunities Committees will nominate a task group of unaffected NANOTRANS PIs, external Supervisory Board members, as well as additional external advisors (e.g. representatives of the Universities’ management or legal departments, EU project officers etc.) who will carefully study the evidence and submit a report based on which further steps will be decided upon at the General Assembly. Most participating organizations have established procedures for managing misconduct in place that we will apply when appropriate.

3.3 APPROPRIATENESS OF THE INFRASTRUCTURE OF THE PARTICIPATING ORGANISATIONS

All participating organisations have a long experience in research and training and a proven record of excellence, which they obtained because they possess exceptional human and material infrastructure. Description of the legal entities of all participating organizations, together with the main tasks attributed, can be found in the capacities tables in Section 5. Each node will supply the ESRs with: i) local leading experts in the research topics of the network, and in the broader area of nanoscience, ii) established series of advanced lectures, courses, seminars and colloquia, and iii) a lively research environment featuring many other PhD and postdoctoral researchers with whom to interact, collaborate and discuss. ESRs will have direct access to an impressive amount of competences, resources and facilities and will also be given practical support for language courses, housing, etc. Non-academic beneficiaries were partners in various EU projects in the past, thus their standards are equivalent to those of academic institutions. They are in direct contact with local academic organisations, which awards doctoral degrees and provides ESRs access to instruments or techniques not readily available in industrial facilities. The network is structured in committees, chaired by scientists with a long-standing expertise in managing complex research projects. The EU project office of University of Cambridge will be in charge of the management of all administrative, financial and legal aspects at the level of the network. Their staffs have substantial experience in supporting EU and other projects from proposal phase to execution: UCAM has participated in a huge number of EU projects in the past; only within FP7 UCAM node has coordinated 31 projects – including 9 ITNs. At the level of each node, the contracts and financial transactions are dealt by the administration of the institution indicated as the node coordinator. This institution will oversee the execution of all network activities of the node at the local level. In this way no formal legal agreement among the members is needed.

3.4 COMPETENCES, EXPERIENCE AND COMPLEMENTARITY OF PARTICIPANTS & THEIR COMMITMENT TO THE PROGRAMME

3.4.1 EXPLOITING PARTNERS’ COMPLEMENTARITIES Participating organizations are among the best academic and industrial institutions in the world and are in many ways complementary to each other. The proposed research covers most important aspects of nanoscience and synergetically addresses challenging fundamental and applied problems with complementary state-of-the-art approaches. The network has a balanced composition both related to gender issues and to the experience of PIs.


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All this is favourably reflected in the quality of the training program: each ESR will experience an excellent local supervision on specialized topics, while the network with all the proposed instruments offers an added bonus by providing a huge range of complementary expertise. The network members were selected according to:

• Demonstrated excellence, as witnessed by the number and impact of published research, the overall standing in scientific community, and technical support for research

• Complementarity and compatibility of partners demonstrated by existing collaborations and the prospect of establishing new connections within the proposed network

• Experience in training demonstrated by their record in having advised a large number of PhD students and postdocs who subsequently pursued successful careers in industry or in academia

• Ability of cross-sectorial collaboration demonstrated by overlapping interests and existing collaborations • Capacity of industry to actively participate in ESR training and offer real experience of private sector.

The European spirit of the network is reflected in the fact that the participants are from 8 different European countries. Several partners are/were participants in large-scale EU research and training projects such as SOFTCOMP, COMPLOIDS, SOMATAI, NANODIRECT, SNOW CONTROL, ACQUEAU, JONAS, NANOCEM (Industrial-Academic Network), as well as in large national and transnational projects like SFB6 Transregio and others. In recent years NANOTRANS participants have received several prestigious grants, awards and prizes, among others: Frenkel & Bocquet: ERC Advanced Grant; Keyser: ERC Starting Grant. NANOTRANS participants are active members of ESMI (European Soft Matter Infrastructure) and of CECAM (Centre Européen de Calcul Atomique et Moléculaire) offering access to excellent facilities for collaborative research and meetings organization. The partners form a well-connected group with numerous links, several joint publications in top-level journals and an impressive record of intersectorial collaboration:

• CORDOUAN & Dubois (CNRS-PHENIX): instrument development for electroacoustic measurements • UNILEVER & Dhont (JÜLICH) and Frenkel (UCAM): multiple joint publications • ARESIS & Dobnikar (UCAM): joint publications on assembly of magnetic colloids. • Bocquet (CNRS-LPTENS) with SOLVAY on active colloids and nanofluidics • CNRS-PHENIX node: Lafarge (cement durability), Total (imaging of porous materials), Saint-Gobain

(thermal insulation porous materials), IFPEN (CO2 sequestration), ANDRA (geological disposal of nuclear waste), CEA (mobility, speciation and activity coefficients of radioactive ions)

• Netz (FUB) is coordinating a collaborative research/training project funded by BMW • Frenkel (UCAM) has collaborated with companies including Shell, Schlumberger, DSM and Unilever • Knowles (UCAM): a large project on neurodegenerative diseases funded by pharmaceutical company Elan.

3.4.2 COMMITMENT TO THE PROGRAMME 3.4.2.2 Beneficiaries. All beneficiaries are fully committed to the proposed programme, which is demonstrated by the proposed research projects, recruitment deliverables, responsibilities distribution within the Training Programme, and in the composition of all the management bodies. Network was carefully composed to achieve scientific excellence, gender and geographical balance, and to create a lively team that can actually work together. 3.4.2.3 Role of partner organizations. The 5 associate partners will complement our expertise and actively participate in most of the proposed activities. Partners from USA (GU, MIT) will share their insight into the US system of higher education. The private sector associates FA and ARESIS are SME companies offering a different perspective and insight into functioning of spin-off companies. UZH is an active participant who was initially included as a full member but appears as a partner due to formal reasons. They will provide external funding for ESR16 and will be fully integrated in the network. All partner organizations will host ESR secondments or research visits. As visiting scientists at NANOTRANS nodes, they will collaborate on joint projects and offer seminars and specialized mini courses. The table summarizes the main details of partners’ involvement.

Associate PIs Partner Research visits Collaborations Training Modules

Hosting ESR secondments or research visits

E. Del Gado P. Olmsted GU UB, CNRS,

UCAM I. Pagonabarraga, E. Trizac, J. Dobnikar, D. Frenkel, R. Pellenq T7 ESR8, ESR9

R. Pellenq MIT CNRS L. Bocquet, E. Trizac, V. Marry, B. Rotenberg T7 ESR1, ESR9 D. Babić ARESIS UB, UCAM, UZH F. Sagues, J. Dobnikar, M. Krishnan T2, S4 ESR10, ESR14 T. Knowless FA UCAM, CNRS D. Frenkel, S. Perkin, R. Netz T8, S4 ESR4, ESR5, ESR8 M. Krishnan UZH UCAM, UB, FUB R. Netz, E. Trizac, J. Dobnikar, I. Pagonabarraga T5 ESR8, ESR12


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4. GANTT CHART

Months

1 2 3 4 5 6 7 8 9 1

0 11

12

13

14

15

16

17

18

19

20

21

22

23

24

25

26

27

28

29

30

31

32

33

34

35

36

37

38

39

40

41

42

43

44

45

46

47

48

ESR 1 V V S S S S S S V ESR 2 V V S S S ESR 3 S S S S S S V V ESR 4 V V V S S S V ESR 5 V V S S S ESR 6 S S S V V V ESR 7 V V S S S ESR 8 V S S S V ESR 9 V S S S V V ESR 10 S S S ESR 11 S S S ESR 12 V V S S S V V ESR 13 V V S S S V V ESR 14 V V V V S S S ESR 15 S S S S S S

R

esea

rche

rs'

Rec

ruitm

ent Workshops IOW 1 2 3 4

Conference Sumer School S C

Visiting Scientist

Other RECRUITMENT PHASE D C T T T T SECONDMENTS PHASE

T T

M'ment G

A R GA R G

A R GA R

Meetings K 1 2 3 4 E

Dissem. / Public e'ment

Dissemn.

Public engagement

S = Inter-Sectorial Secondment

V = ESR Research Visits to other nodes (details including dates subject to changes based on work progress)

IOW= Initial Orientation Workshop (date subject to change based on completion of the recruitment process)

T = Training Event (Advanced Modules & Transferable Skills) (some dates subject to change based on completion of the recruitment process and planning of the IOW)

D = Data Management Plan

C = Career Exploitation Plans

K = Kick-off meeting; 1-4: Annual Meetings

GA = General Assembly; R = Reporting to EU

E = End of project


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5. CAPACITY OF PARTICIPATING ORGANISATIONS Beneficiary 1: UCAM University of Cambridge Network Coordination General Description

University of Cambridge is among the leading research and higher education institutions in the world. It offers students a stimulating environment to study, perform research and to transfer the knowledge between sectors, as well as excellent career development opportunities. Besides the highest standard of research and training, the University provides a broad range of transferable skills courses. The UCAM node of NANOTRANS involves both the Physics and Chemistry departments. It represents a strong, interdisciplinary group of researchers. Daan Frenkel is a world-leading expert in computer simulations of soft-matter, who has trained many young researchers, wrote a seminal book on molecular simulations, organized international Molecular Simulation schools, and taught at many summer schools.

Role and Commitment of key persons (including supervisors)

Prof Daan Frenkel / 15% / Molecular simulations of soft and biological systems supervisions: 28 ESR (6 on-going), 48 ER (6 on-going) Dr Jure Dobnikar / 30% / Many-body interactions, charged and magnetic colloids, DNA-coated colloids, self-assembly, active colloids, bacterial motility; supervisions: 5 ESR (1 on-going), 4 ER Dr Ulrich Keyser / 20% / Single Molecule Biophysics, Nanotechnology, Optical Tweezers, Nanopores supervisions: 8 ESR (6 on-going), 5 ER (4 on-going), >20 undergraduate students Dr Tuomas Knowles / 5% / Molecular biophysics, nanofluidic experiments Jure Dobnikar will be the Network Coordinator and Daan Frenkel will coordinate monitoring of the execution (scientific contents) of the NANOTRANS research program. Tuomas Knowless (also in Fluidic Analytics) will act as the Knowledge Transfer Coordinator.

Key Research Facilities, Infrastructure and Equipment

Experimental resources: • State -of-the-art single and multiple optical tweezers in combination with • Single molecule fluorescence and ionic current detection in the Physics of Medicine Initiative • Clean-room facilities for fabrication of nanofluidic structures (University Nanoscience Centre) Computational resources: • Dedicated state-of-the-art computer cluster with 592 processor units and graphic card resources • Access to University of Cambridge supercomputing resources: HECTOR • Access to grid-based large-scale computing: CAMGRID Methods: advanced numerical methods of molecular simulation (Monte Carlo, Molecular Dynamics), electrostatic interactions, electrokinetic simulations, simulations of self-assembly, materials properties and biological processes

Independent research premises? Yes. Previous Involvement in Research and Training Programmes

• ITN COMPLOIDS, 2009-2013 (J. Dobnikar: deputy coordinator; D. Frenkel: PI) • ERC Advanced Grant 2008-2013 (D. Frenkel; COLSTRUCTION) • RTN Arrested Matter (FP6) 2004-2008 (D. Frenkel: PI) • RTN Nucleus (FP6) 2004-2008 (D. Frenkel: PI) • FP6 ERA-Net grant: Novel force spectroscopy with nanopores, European Nanoscience- E+ Initiative

in collaboration with EPSRC (U.F. Keyser, overall project leader) • University of Cambridge Physics of Medicine Initiative (U.F. Keyser) • Emmy Noether Research Grant of the German Science Foundation (DFG) 2007-2012 (U.F. Keyser) • Graduate school German Excellence Initiative: Building with molecules and nano-objects

(BuildMONA), DFG 2007-2012 (U.F. Keyser, PI) • Lennard Jones Centre for Computational Material Science (D. Frenkel: Director) • D. Frenkel: Head of the Department of Chemistry (UCAM, 2011-2016) • D. Frenkel has worked on major projects funded by the private sector: Shell (adsorption and diffusion

in zeolites), Unilever (bile-micelle formation), and DSM (polymer crystallization) Daan Frenkel is a world-class expert in molecular simulations, who received numerous prizes and distinctions for his outstanding contributions to the scientific community. He was invited to teach on 23 International Summer Schools. He wrote a reference book Understanding Molecular Simulations and established a school on Molecular Simulations (MOLSIM) taking place annually in Amsterdam and in India. He supervised 25 ESRs and 45 ERs, of them 10 Marie Curie fellows. 32 of his former students and postdocs pursue successful careers in academia, 15 as full professors, and many others made a career in industrial environment. He teaches at University of Cambridge and as invited lecturer at several other Universities worldwide.

Current involvement in Research and Training Programmes

• ERC Starting Grant 2010-2014 (U.F. Keyser) • University of Cambridge Physics of Medicine Initiative (U.F. Keyser) • T. Knowles: Molecular origins of neurodegenerative diseases, funded by company Elan • Lennard Jones Centre for Computational Material Science (D. Frenkel: Director) • D. Frenkel: Head of the Department of Chemistry (UCAM, 2011-2016)

Relevant Publications, research & innovation products

[1] T. Curk, F. Martinez-Veracoechea, D. Frenkel, and J. Dobnikar, Nano Letters 4 (5), 2617 (2014)) [2] I. Pagonabarraga, B. Rotenberg, and D. Frenkel: Phys. Chem. Chem. Phys. 10, 9566 (2010) [3] T.P.J. Knowles, M.J. Buehler: Nature Nanotechnology 6 469 (2011) [4] N. Laohakunakorn, S. Ghosal, O. Otto, K. Misiunas, and U. F. Keyser, Nano Letters 13, 2798 (2013) [5] S. van Dorp, U.F. Keyser, N.H. Dekker, C. Dekker and S.G. Lemay, Nature Physics 5 347 (2009)


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Beneficiary 2: CNRS CNRS Paris Network Deputy Coordination General Description

CNRS is the largest French research organization covering all major fields of science and encourages collaboration across disciplines in particular with Universities thus opening up new fields of enquiry to meet social and economic needs. CNRS has developed interdisciplinary programs, which bring together its institutes as well as other research institutions and industry. CNRS laboratories (1100 research units, among which 90 % are joint research laboratories with universities or industry) are located throughout France and employ a large body of researchers, engineers, and support staff. CNRS local network is composed of 19 regional offices, ensuring decentralized direct management of laboratories. “Paris B” Regional Delegation, located in the centre of Paris, will handle all administrative issues with regard to this project. The researchers involved in the NANOTRANS are members of LPTMS lab at Université Paris-Sud, PHENIX lab at Université Pierre et Marie Curie, and LPS lab at Ecole Normale Supérieure. These are the first three French universities in the Shanghai ranking.


Dr Benjamin Rotenberg CNRS researcher / 15% / Molecular and mesoscopic (Lattice-Boltzmann) simulation of complex fluids and porous media; supervision: 6 ESR (3 on-going), 2 ER Prof Emmanuel Trizac CNRS-LPTMS / 20% / Statistical physics of complex systems: from soft to granular matter, electrostatics in complex systems; supervision: 8 ESR (2 on-going) and 6 ER Prof Lydéric Bocquet CNRS-LPS/ 20% / Nanofluidics, colloids, soft matter, statistical physics, hydrodynamics, molecular simulations; supervision: 8 ESR (2 on-going), 10 ER (3 on-going) Prof Marie Jardat CNRS-PHENIX / 10% / Mesoscopic simulation (Brownian dynamics, MPC) of charged colloids; supervision: 6 ESR (2 on-going) and 2 ER (1 on-going) Dr Vincent Dahirel UPMC / 10% / Mesoscopic simulation (Brownian dynamics, MPC) of charged colloids; supervision: 2 ESR (1 on-going) Dr Emmanuelle Dubois CNRS research director / 10% / Dynamics and structure in charged colloidal systems, neutron and X-ray scattering; supervision: 10 ESR (2 on-going) and 1 ER Other key persons with /5%/ commitment: Dr Olivier Bernard CNRS, Dr Pierre Levitz CNRS, Prof Virginie Marry CNRS-PHENIX, Dr Mathieu Salanne CNRS-PHENIX, Dr Alessandro Siria CNRS

Benjamin Rotenberg will act as a Deputy coordinator of NANOTRANS; all other PIs will actively participate in several Committees and in the Executive Board.


Main Experimental facilities: • Access to national facilities such as neutrons sources LLB, ILL, ... • Solution chemistry lab: densimetry, potentiometry, refractometry, high precision conductimetry, … • Light scattering, electrophoretic mobility, acoustic and electro-acoustic measurements • Nanofluidics lab Main Computing facilities: • Access to national computing facilities: GENCI • CNRS-PHENIX: 3 clusters with a total of ~320 CPU's and access to a shared cluster of 640 CPU's • CNRS-LPTMS: 3 clusters with a total of ~120 CPU's and access to a shared cluster of 220 CPU's Codes: Classical polarizable molecular dynamics, Monte Carlo simulations, Brownian dynamics, Stochastic Rotation Dynamics, Lattice-Boltzmann Electrokinetics

Independent research premises? Yes Previous Involvement in Research and Training Programmes

Solid experience of teaching, both in national and international masters program. Organization and dynamics in liquids at UPMC (Jardat, coordinator) and Multiscale Modelling (Jardat, Rotenberg). Physics of disordered materials at Ecole Polytechnique and Ecole des Ponts and Physical chemistry of colloids at UPSud (Levitz). Trizac heads the Complex systems master at UPSud and is involved in the international master Physics of Complex Systems. Bocquet was responsible for the course Out of Equilibrium statistical physics at the ENS Lyon, Micro- and nano-fluidics at the master Nanoscale Engineering (PRES Lyon) and for Nanofluidics (‘microfluidic’ master, UPMC, Paris). International school at Les Houches (4 weeks), on Soft Interfaces (Bocquet). Erasmus Mundus International Master in Advance Clays Sciences (Marry, Rotenberg) Visiting lecturers at University of Barcelona (Trizac, Rotenberg). COMPLOIDS ITN (Trizac, Rotenberg associate partners). Involvement in or coordination of recent research project funded by ANR (all participants), French-Slovenian PROTEUS Integrated Action Programmes (Jardat), France-Berkeley Fund (Levitz). CNRS Industrial collaboration: Cordouan Technologies: electroacoustic measurements, Lafarge: cement durability, Total: imaging of porous materials, Saint-Gobain: thermal insulation porous materials, IFPEN: CO2 sequestration; optimization of transport through porous catalysts, Andra: geological disposal of nuclear waste, CEA: mobility, speciation and activity coefficients of radioactive ions.


• Lab. d'Excellence MATISSE (rumba.lcmc.jussieu.fr/MATISSE/) and PALM (www.labex-palm.fr/) • CECAM node (www.cecam.org/node_cfcam_idf.html). • ERC Advanced Grant 2010-2015 MICROMEGAS (Bocquet) • ANR (French Research Agency) research projects: STABINGRAM (Trizac), CELADYCT (Dubois,

Rotenberg, Jardat, Marry, Bernard, Levitz). • Int. res. network GDRI M2UN (Multi-scale Materials Under the Nanoscope, Levitz, Bocquet)

Relevant Publication, research / innovation products

[1] L. Šamaj and E. Trizac, Phys. Rev. Lett. 106 078301 (2011) [2] V. Marry et al., Env. Sci. Technol. 45 2850 (2011) [3] B. Rotenberg, I. Pagonabarraga and D. Frenkel, Faraday Discuss. 144 223 (2010) [4] C.B. Picallo et al. Phys. Rev. Lett. 111 244501 (2013) [5] A. Siria et al, Nature 494, 455 (2013)


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Beneficiary 3: JGU Johannes Gutenberg Universität Mainz Training Coordination General Description

The Johannes Gutenberg university of Mainz (JGU) is one of the oldest universities in Germany with degrees in more than ninety subjects. Both Chemistry and Physics were classified as members of the ''Excellence group'' in the most recent European CHE Excellence ranking. The researchers in NANOTRANS are members of the “condensed matter theory” group (KOMET 331) at JGU. The research of this group focuses on computational soft matter physics and statistical mechanics, with emphasis on advanced algorithms.


Prof Friederike Schmid / 20% /Classical simulations of soft matter and complex fluidsiKes (mostly Monte Carlo, Molecular dynamics, dissipative particle dynamics, and dynamic density functional theory). supervision:17 ESR (4 on-going) and 9 ER (2 on-going) Dr Marialore Sulpizi / 20% /ab-initio Molecular dynamics, force-field based Molecular dynamics, mixed QM/MM methods, structure and spectroscopy of water at interfaces supervision: 4 ESR (4 on-going) and 1 ER (1 on-going)

JGU will coordinate NANOTRANS training: Friederike Schmid will chair the Training Committee.


Main Computing facilities: • access to national computing facilities: HLRZ Jülich, HLRS Stuttgart • High performance compute cluster Mogon at JGU. Mogon currently has about 500 com • Compute nodes with 64 cores each. A grant for a substantial extension in 2015 and 2017 (Mogon 2)

has recently been approved by the “Wissenschaftsrat” of Germany. With Mogon 2, JGU will become member of the Gauß-Allianz, which is an alliance in Germany for promoting high performance computing as an independent strategic research activity.

Independent research premises?

Yes

Previous Involvement in Research and Training Programmes

Prof. Friederike Schmid: • Solid teaching experience at the undergraduate and graduate level. Karl-Peter Grotemeyer

award 2003 for excellent teaching. Currently in charge of the bachelor/master’s physics program at JGU Mainz. Several invited tutorials at international graduate schools (7 total, 2 in 2014).

• Conference and workshop co-organization (e.g., Mainz Materials Simulation days 2011 and 2013, “Statistical Mechanics: Interplay of Theory and Computer Simulations” 2012, CECAM workshop “Coarse-graining multicomponent soft matter systems: Equilibrium and dynamics” 2013, CECAM workshop “Multiscale simulations for soft matter systems” 2014).

• Principal investigator in three collaborative research centers of the German Science Foundation: SFB 613 “physics of single molecule processes and molecular recognition”, SFB 625 “From single molecules to nanoscopically structured materials”, SFB TR-6 “physics of colloidal dispersions in external fields”.

Dr. Marialore Sulpizi • Conference and workshop co-organization (e.g., CECAM/psik workshops on solid/liquid

interfaces 2011 and 2013; Navigating Chemical Compound Space for Materials and Bio Design, UCLA, US, 2011; SPICE workshop on Modern Methods in Materials Science 2014)


• F. Schmid is Principle investigator in the german-korean international research training group IRTG 1404 “self-organized materials for opto-electronics” www.optoelectronics.chemie.uni-mainz.de

• F. Schmid and M. Sulpizi are Principle investigators in the graduate school of excellence MAINZ “Materials Science in Mainz” www.mainz.uni-mainz.de

• F. Schmid is Faculty member in the “Max-Planck graduate center with the JGU” (MPGC), www.mpgc-mainz.de

• F. Schmid is senior member of the “Gutenberg academy for young researchers” which promotes excellent PhD students at JGU www.gutenberg-akademie.uni-mainz.de

• JGU is associate member of the ERASMUS Mundus master course ATOSIM • JGU participates in the CECAM node “Soft matter and statistical mechanics”, F. Schmid is

member of the Steering committee (www.cecam.org/node_smsm.html ) • F. Schmid is Principle investigator in the collaborative research center SFB 1066

“Nanodimensional polymeric therapeutics for tumor therapy”) www.sfb1066.uni-mainz.de • F. Schmid is spokesperson of the collaborative research center SFB TRR 146 “ Multiscale

Simulation Methods for Soft Matter Systems”. M. Sulpizi is Principle investigator in the same center and in charge of the graduate student training program.

Relevant Publication, research/ innovation products

[1] M. Sulpizi, M. Salanne, M. Sprik and M-P. Gaigeot: J. Phys. Chem. Lett. 4, 83 (2013) [2] S.K. Meena and M. Sulpizi: Langmuir 29, 14954 (2013) [3] S. Meinhardt, J. Smiatek, R. Eichhorn, F. Schmid: Phys. Rev. Lett. 108, 214504 (2012) [4] S. Qi, H. Behringer, F. Schmid: New J. Phys. 15, 125009 (2013) [5] S. Medina, J. Zhou, Z.-G. Wang, F. Schmid: J. Chem. Phys. 142, 024103 (2015)


NANOTRANS - ETN


Beneficiary 4: UB Universitat de Barcelona Equal Opportunities Coordination

General Description

Founded in 1450, The University of Barcelona is ranked within the top few Universities in Spain, in terms of both, the quality of teaching it offers and the productivity and quality of research carried out by its members. It is the only Spanish University to appear on the list of the world’s 200 best Universities (The Times Higher Education Supplement). The UB has 109 departments and more than 5,000 full-time researchers, technicians and research assistants, most of whom work in the UB’s 249 research groups as recognized and supported by the Generalitat de Catalunya (Catalan Government).

Role and Commitment

of key persons

(including supervisors)

Prof Ignacio Pagonabarraga / 30% / background in physical chemistry and statistical physics; theoretical study and modelling of hetereogeneous materials out of equilibrium, mesosocpic methods for complex fludis, charged systems and active fluids. supervision: 16 ESRs and 5 ERs

Prof Francesc Sagues / 20% / background in physical chemistry and statistical physics; self-organization processes of soft-matter and bio-inspired systems: monolayers, colloids, liquid crystals, biomembranes and biological tissues (theoretical and experimental approaches). supervision: 23 ESRs and 5 ERs

Key Research Facilities,

Infrastructure and

Equipment

The team will use the laboratory space located within the department of Physical Chemistry at the University of Barcelona. The fully equipped laboratory contains several experimental setups to study dynamics of soft matter like optical microscopes with CCD cameras, Langmuir Blodget balances, a fluorescence microscope, an atomic force microscope and others. The laboratory has also acquired recently the capacity to prepare, store and manipulate active materials (motor and filament proteins).

The team will also benefit from the Supercomputer laboratory on statistical physics, which contains two clusters of nearly 200 cores for intensive numerical simulations at the Department of Fundamental Physics. The host group also gets periodic access to computer time in the European leading supercomputing facility Mare Nostrum. The host group was recently granted a competitive access to a PRACE project. The University of Barcelona will provides access to various facilities such us Machine shop, Electronic Shop, Clean Rooms, Electron Microscopy facilities and so on. Moreover the UB will provide to all team members office space, access to computer network and scientific library.

UB node will coordinate the NANOTRANS Equal Opportunities policy and organise the data repository.

Independent research

premises? Yes.

Previous Involvement in Research

and Training Programmes

• I. Pagonabarraga has been a host researcher of a Marie Curie Individual Grant for Incoming International Fellow

• F. Sagués has been a member in the steering committees of the ESF programs (STOCHDYN 2003-2007 and FUNCDYN 2007-2011)

• F. Sagués has been invited to deliver lectures at the Summer School: Benasque (2012) and he is applicant under Mercator Programme to lecture (2014) at Universität Von Humboldt (Berlin)

• I. Pagonabarraga has been visiting lecturer at the University of Paris Sud (2003), Universite Claude Bernard of Lyon (2005) and Free University of Berlin (2011)

• I. Pagonabarraga has been invited to deliver lectures at Summer Schools: Finland (2001), Les Houches (2011)

All participants have solid experience of teaching at the master and doctorate levels, both in national and international masters programs. I. Pagonabarraga has been associate member of the ITN COMPLOIDs; he is involved in the Master of Nanoscience and Nanotechnology at UB. I. Pagonabarraga implemented an Inter-University Master Program at UB (Master on Computational and Applied Physics) and was the coordinator of the program in 2005/2008. He was also involved in designing the Master in Biophysics at UB. In both cases, he has been in the managing committee since its beginning. More recently, he has been in the appointed committee by the Dean of the Physics Faculty to organize a new Master curriculum at the Physics faculty. He is currently the coordinator of the Doctorate Physics Program at UB. F. Sagués was involved in designing the Master in Applied Materials Chemistry at the Chemistry Department.

Current involvement in Research

and Training Programmes

• I. Pagonabarraga is is involved in the Master of Nanoscience and Nanotechnology at UB • F. Sagues is involved in the Master in Applied Materials Chemistry at UB • I. Pagonabarraga is currently the coordinator of the Doctorate Physics Program at UB


[1] O. Guell, F. Sagués, and P. Tierno, Advanced Materials 23 3674 (2011) [2] P. Tierno, R. Golestanian, I. Pagonabarraga, F. Sagués, Phys. Rev. Lett. 101 218304 (2008) [3] R.Ledesma-Aguilar, R.Nistal, A.Hernandez-Machado, I.Pagonabarraga, Nature Materials 10, 367 (2011) [4] R.Ledesma-Aguilar, A.Hernandez-Machado, I.Pagonabarraga, Phys. Rev. Lett. 110, 264502 (2013) [5] N. Petit-Garrido, J. Claret, J. Ignés-Mullol, F. Sagués, Nature Communications 3:1001 doi:10.1038/ncomms1987


NANOTRANS - ETN


Beneficiary 5: UNILEVER UNILEVER Research & Development Vlaardingen B.V. Industrial Liaison Coordination

General Description

Unilever R&D Vlaardingen designs food, personal care, and household care products by understanding materials/product behaviour and the underlying physics of structuring processes for enabling controlled delivery of functional ingredients and consumer benefits and for enhancing innovation in product development. The research covers topics of soft-condensed matter, self-assembly, colloid and interface science of dispersions (e.g. suspensions, foams, emulsions) and their uses to control product functionality (e.g. stability, appearance, texture). Velikov is an adjunct assistant professor in the Soft Condensed Matter group at the Debye Institute for NanoMaterials Science, Utrecht University, adjunct associate professor in the Department of Chemical and Biomolecular Engineering in the College of Engineering, North Carolina State University (USA) and a Program Director of “Molecular Structure of Food” program in NanoNextNL. Unilever R&D Port Sunlight is the centre for R&D in the home and personal care areas. The site hosts an internationally leading theory and modelling group, of which Patrick Warren is a member.


Dr Krassimir P. Velikov / 10% / Science Leader & Team Leader / colloid science, synthesis of colloidal particles, particle-stabilised fluid-in-fluid dispersions, colloidal assembly Supervision: 8 ESR, 6 ER

Dr Patrick B Warren / 10% / Science Leader / statistical and soft matter physics Supervision: 4 fellows under previous Marie Curie Industry Host scheme in FP5

Dr Stephan Schumm / 10% / Project leader / physical-chemistry, modelling, spectroscopy Supervision: 2 ESR, 2 ER


Unilever R&D Vlaardingen owns a wide range of instruments and techniques including rheological and material testing techniques, homogenisation and processing capabilities, thermal measurements (DSC and ITC), Capillary Zone Electrophoresis, interfacial tension measurement capability (dynamic drop tensiometry, Langmuir trough, surface rheology), particle sizing (dynamic and static light scattering), atomic force microscopy (AFM), electrophoretic mobility, chromatography, image analysis, NMR (20 MHz), X-ray Diffraction and (cryo-)TEM Tomography, FT-IR imaging and confocal- Raman microspectroscopy, as well as various light (CSLM, white field) and electron microscopies (TEM, SEM). In addition, several in vitro models to study digestion of food in gastric and intestinal conditions. Facilities in Unilever R&D Port Sunlight further include access to a 300-node compute cluster.

UNILEVER will actively participate in several Committees and especially in the Industry Liaison Committee. UNILEVER will take the lead on shaping the innovations and result exploitation strategy of NANOTRANS by encouraging transfer of knowledge, assist in developing products and preparing patents, as well as in establishing start-up companies.


Yes.


• NANODIRECT (NMP-2007-SMALL, 2008-2012) • FP7-PEOPLE-IIF-2008 “Colloidal particles for targeted delivery of phytochemicals: Ayurveda”

PIIF-GA-2009-237223 • FND07002 “Colloidal Micronutrients” with van 't Hoff Laboratory for Physical and Colloid

Chemistry, Utrecht University. Funding Food Nutrition Delta program • FND06006: “Nano-biointerfacing” with AMOLF (Amsterdam). Funding Food Nutrition Delta

program. • Marie Curie Industry Host scheme (P. Warren, FP5)


• FP7-PEOPLE-2013-IEF INBODY PIEF-GA-2013-626421 • EU FP7 NutraHEALTH • NanoNextNL 5B Molecular Structure of Food (program director K.P. Velikov) • BBSRC CASE 2PhDs student with Dr. D. Aarts, Oxford University (UK)


[1] J. W. J. de Folter; M. W. M. van Ruijven; K. P. Velikov Soft Matter, 8, 6807 (2012) [2] M.V. Fedorov, V. Maxim, J.M. Goodman, D. Nerukh, S. Schumm: PCCP 13 2294 (2011) [3] S. Lam, E. Blanco, S.K. Smoukov, K.P. Velikov, O.V. Velev: JACS 133 13856 (2011) [4] P. B. Warren and R. J. Allen: Phys. Rev. Lett. 109, 250601 (2012) [5] C. Duprat, A. D. Bick, P. B. Warren and H. A. Stone: Langmuir 29, 7857 (2013)


NANOTRANS - ETN


Beneficiary 6: COR CORDOUAN TECHNOLOGIES SAS Innovations Coordination General Description

Based in Pessac FRANCE (33), CORDOUAN TECHNOLOGIES is a start up company specialized in the design, fabrication and industrialization of innovative instruments for physico-chemical characterization (size, charge, shape) of nano-particles and nano-materials for academic research and industrial application (process monitoring, quality control, R&D). Thus thanks to its skills and know how in optoelectronic technologies, optics, light scattering, software and user interface, Cordouan proposes to its customers measurement solutions for granulometry, refractometry, zetametry, electronic microscopy and preparation accessories. Our unique product portfolio is issued from patented and innovative technologies transferred from prestigious research institutes: Institut Français du Pétrole (IFP EN), Karlsruhe Institute of Technologie (KIT), Institut Charles Sadron (ICS). Those key partners allow us outsourcing our R&D while benefiting from their expertise and financial support all along the projects. Cordouan Technologies is also actively involved in collaborative research programs either national (ANR, CIFRE Industrial PhDs) or European (FP7) which allow us to develop and demonstrate the capabilities of our technologies and know how in various applications related to nano-particles. As a member of the French standardization association (AFNOR) since several years, Cordouan Technologies is also actively involved in standardization activities nationally (AFNOR/X457 Nanotechnologies commission) and internationally (ISO/TC 24/SC 4 & ISO/TC 229).!!


• Dr David Jacob (10%) / CTO of Cordouan- PhD in laser physics; Industrial project management; Technology transfer and industrialization; fibre optics; opto-electronics for lab instrumentation

supervision of 2 PhD (CIFRE Thesis with CNRS-PECSA and the CBMN lab -University of Bordeaux) and Supervision of several long duration trainees (Engineering schools and Master 2) in Optics and two PhD in Physics.

• Boris Pedrono (20%) Engineer in opto-electronics; ζ-potential theory and experiments; laser physics; opto-mechanical design, prototyping

Supervision of several long duration trainee (Level Master 2) in mechanics and opto electronic

• Dr Benoit Maxit (10%) PhD and engineering degree in Chemistry; Colloids self assembly; polymers and gold nano particle synthesis and characterization; Electronic microscopy

Supervision of several long duration trainee (Level Master 2) in chemistry and colloidal science

CORDOUAN will chair the Industry Liaison Committee and participate in the Recruitment and Equal Opportunities Committee.


• An application lab equipped with DLS particle size and zeta potential analyzers, viscometer, LVEM 5 Lab top Transmission Electron microscope, ultra microtome, ultrasonic probe, optical microscope, water ultra-filtration (MQ) system,

• In house design capabilities: optic, electronic, mechanic, software design • Mechanical and electronic workshop • R&D lab with zeta and DLS experimental bread board setups


Yes.


• Participation to EMBO « Electron Microscopy & Stereology in Cell Biology 2011 – Strasbourg: courses on ultra microtome and sample preparation techniques for SEM analysis

• 1 PhD Thesis (CIFRE) on-going in collaboration withPHENIX lab CNRS-UPMC-Paris VI on electro-acoustic mobility measurement of colloids;


• Partner of the collaborative FP7 project SNOW CONTROL: leader of WP1 (extending current methods for on-line measurement of Nanoparticle synthesis

• Project leader of NADWA: “Nano Particle Drinking Water Analysis” (ACQUEAU project, partnership with TZW-Gmbh )

• 1 PhD Thesis (CIFRE) on-going in collaboration with: GBMC lab CNRS-Univ of Bordeaux on low density proteins migration in cellular membranes;

• Active member of the French certification organization AFNOR on Nano particle normalization Relevant Publication, research / innovation products

[1] Three international patents on DLS and zeta potential measurement systems: PCT/FR2010/000473, PCT/FR2010/000470, FR1361077

[2] J. Eyssautier, et al.: Langmuir, 28 11997 (2012) [3] B. Maxit, et al.: Langmuir 27 1990 (2011) [4]!A Schwamberger & al.”Combining SAXS and DLS for simultaneous measurements and time-resolved monitoring of nanoparticle synthesis”: submitted!


NANOTRANS - ETN


Beneficiary 7: UNIVIE UNIVERSITY OF VIENNA Recruitment Coordination General Description

The University of Vienna is the leading Institute of Higher Education and Research in Austria and one of the leading Universities in Europe. The main task and goal of this university lies in creating and sustaining top-quality research and teaching, which are regarded as one inseparable entity ("research-guided teaching"). A strong focus on research, combining fundamental with application-oriented research, renders this University highly attractive for the sharpest minds. Hosting a large number of ITN’s, ESR-Award Winners, Special Research Networks and Structured Graduate Schools, and featuring an extraordinarily research-oriented, international training character, the University of Vienna is a prime Institution for conducting cutting-edge fundamental research with links to society-relevant applications. The Faculty of Phyiscs of the University of Vienna has a rich tradition of leadership, having been the home of such scientists as Ludwig Boltzmann, Erwin Schrödinger, Lise Meitner, Christian Doppler and Ernst Mach, and today it follows on the tradition of excellence set by its founding fathers.


Prof Christos N. Likos / 20% / Coarse-graining, Soft Matter theory, simulation

Supervision (Likos): 20 ESR’s and 15 ER’s (including Alexander von Humboldt, Lise Meitner, and Marie Curie Fellows) Dr Ronald Blaak / 10% / Charged systems, simulations & theory Dr Barbara Capone / 10% / Polymer simulations, multiscale modelling Dr Lorenzo Rovigatti / 10% / MPC, telechelic star polymers, self-assembly UNIVIE will chair the Recruitment & Equal Opportunities Committee and will be responsible for coordination and execution of the Recruitment Process.


Computational resources: Access to the Vienna Scientific Cluster (www.vsc.ac.at), a supercomputer ranking number 56 in the world, with a participation of more than 3 million CPU hours per year. An upgrade of VSC to the new supercomputer VSC3 (VSC1 and VSC2 being already fully operational) will take place within the year 2014. Computer clusters dedicated exclusively to the needs of the Likos and Kantorovich groups, consisting of 500 CPU’s. Adequate rooms, fully equipped workplaces, full-time group secretaries, full time computer administrator, quad-core Imac workstations on every workplace, full administrative support through the Office of Research and International Relations of the University of Vienna.


Yes.


The University of Vienna has an impressive record of managing European Grants. In years 2007-2010 the total cash-flow from FP7 actions was 27,5 M €. • Prof Likos was the Coordinator of COMPLOIDS ITN within the FP7; www.itn-comploids.eu


• Prof Likos is Austria Representative of COST ACTION MP1305 • Prof Likos is Deputy Coordinator of the ETN-COLLDENSE • Prof Likos is Associate Editor of the Journal Soft Matter • Vienna is a CECAM node (Centre Européen de Calcul Atomique et Moléculaire) Currently there are 13 ETN networks running at the node, of which UNIVIE coordinates 5. The University of Vienna offers an outstanding support to holders of such grants, including administrative, financial and organizational consulting.


[1] A. Nikoubashman and C. N. Likos, J. Chem. Phys. 133, 074901 (2010). [2] A. Nikoubashman and C. N. Likos, Macromolecules 43, 1610 (2010). [3] A. Narros, A. J. Moreno, and C. N. Likos, Soft Matter 6, 2435 (2010). [4] M. Bernabei, P. Bacova, A. J. Moreno, A. Narros, and C. N. Likos, Soft Matter 9, 1287 (2013). [5] A. Nikoubashman, C. N. Likos, and G. Kahl, Soft Matter 9, 2603 (2013).


NANOTRANS - ETN


Beneficiary 8: JÜLICH Forschungszentrum Jülich Dissemination Coordination General Description

Forschungszentrum Jülich pursues interdisciplinary research on solving the grand challenges facing society in the fields of health, energy, environment, and information technologies. With its competencies in these areas, work at Jülich focuses on long-term, fundamental and multidisciplinary contributions to science and technology as well as on specific technological applications. With a staff of about 4400, the Forschungszentrum Jülich is one of the largest research institutions in Europe. The research profile of the Forschungszentrum provides system solutions for complex scientific questions by integrating a variety of key disciplines, based on strong core competencies especially in physics, and with strong strategic partnerships and an outstanding scientific infrastructure unrivalled in Europe, such as its supercomputing or non-invasive imaging facilities.


Prof G. Gompper / 10% / Director at Institute of Complex Systems (ICS) and Institute for Advanced Simulation (IAS); Full professor at University Cologne since 1999; PhD from Ludwig-Maximilians-Universität München; Theory and computer simulations on (bio-related) soft-matter systems yearly number of supervised ESRs and ERs is 5-10.

Prof Roland G. Winkler / 15% / Permanent staff scientist since 2001; PhD from Ulm University Theory and simulations on soft matter and polymeric systems

Prof J.K.G. Dhont / 5% / Director at ICS since 2000; Theory and experiments on non-equilibrium phenomena induced by external fields (temperature gradients, shear flow and electric fields in particular); yearly number of supervised ESRs and ERs is 5-10

JÜLICH will coordinate dissemination of research results within the Research Committee.


Participating groups are members of the Institute of Complex Systems (ICS), which consists of 8 departments related to soft-matter and/or biophysics. The theory and simulation department (ICS-2) operates a large workstation cluster (including GPUs), and has access to the massively parallel supercomputers of the Jülich Supercomputer Center (JSC) on the basis of reviewed proposals. The experimental department (ICS-3) disposes of a number of light scattering setups (heterodyne dynamic light scattering, evanescent wave scattering, Brillouin scattering, forced Rayleigh scattering), also in combination with sample environments to study kinetics and effects of external fields (like shear flow, electric fields and temperature gradients). Several microscopes (including confocal microscopes and an electron microscope) and optical techniques (such as a birefringence set up and a total internal reflection microscopy set up and fluorescence correlation spectroscopy). In addition, there is a colloid-synthesis facility, where various standard types of colloids can be made, and new systems are developed.

NANOTRANS will benefit from the outstanding research record and experience of the two PIs (Dhont, Gompper), who will be responsible for coordination of the scientific contents of research. Their expertise is overlapping with the experimental, theoretical and simulational, as well as industrial aspects of NANOTRANS. They are both experienced in managing large national and international grants and are involved in projects like ESMI, CECAM, SoftComp… As the research coordination node, JÜLICH will take care of the risk management, especially for the projects where new methods are going to be developed.

Independent research premises? Yes. Previous Involvement in Research and Training Programmes

We have been involved in: • European network of excellence SoftComp: coordinator G. Gompper (ICS, Jülich); www.eu-

softcomp.net/ • EU collaborative research project NANODIRECT, coordinated by J. Vermant (Leuven, Belgium);

nanodirect.eu/NANODIRECT.html • The Jülich Soft Matter Days: a yearly conference on soft matter and biophysics, with typically 200

participants; www.soft-matter.net/ • The IFF Spring school: a two-week school, organized every three years, with over 200 participants • International Helmholtz research school BioSoft provides an interdisciplinary graduate education for

students in biology, chemistry and physics; www.ihrs-biosoft.de/ Current involvement in Research and Training Programmes

We are involved in: • EU-ITN SOMATAI, coordinated by P. Lang (ICS, Jülich); www.fz-jelich.de • European network of excellence SoftComp, coordinator G. Gompper (ICS, Jülich); www.eu-

softcomp.net/ • EU infrastructure project ESMI, coordinated by J.K.G. Dhont (ICS, Jülich); www.esmi-fp7.net/ • Jülich Soft Matter Days: a yearly conference on soft matter and biophysics, with typically 220

participants; www.soft-matter.net/ • The International Helmholtz research school IHRS BioSoft provides an interdisciplinary graduate

education for students in biology, chemistry and physics; www.ihrs-biosoft.de/ • Forschungszentrum Jülich is a CECAM node (Centre Européen de Calcule Atomique et Moléculaire)


[1] S. Frank and R. G. Winkler: EPL 83, 38004 (2008) [2] J.L. McWhirter, H. Noguchi, and G. Gompper: Proc. Natl. Acad. Sci. USA 106, 6039 (2009) [3] R. Chelakkot, R.G. Winkler, and G. Gompper: EPL 91, 14001 (2010) [4] R. Chelakkot, R.G. Winkler, and G. Gompper: Phys. Rev. Lett. 109, 178101 (2012). [5] R. G. Winkler, et al.: Eur. Phys. J. Special Topics 222, 2773 (2013)


NANOTRANS - ETN


Beneficiary 9: FUB Freie Universität Berlin Events Coordination General Description

After directing the Chair for Soft Matter at the TU Munich for 7 years, Prof. Roland Netz in May 2011 started a new chair for Computational Physics at the Physics Department of the FU Berlin. The Free University of Berlin is one of the largest Universities in Germany and, based on the Future Concept “The Network University”, belongs to the group of nine Elite Universities in Germany. The Physics Department of the FUB focuses on Biophysics and maintains strong ties and collaborations with the surrounding Max-Planck Institutes and the Helmholtz Center for Energy and Materials.


Prof Roland Netz / 20% / analytic soft matter & hydrodynamic theory, coarse-grained & atomistic simulations supervisions: 25 ESR (9 on-going) and 20 ER (5 on-going) From the 15 postdocs who worked with R. Netz in the past, 14 have attained professor positions at research universities. Dr Qianqian Cao / 15% / electrokinetic simulations Dr Matej Kanduc / 15% / water simulations and force field optimization


With the startup package granted by the FUB in May 2011, a dedicated large scale Computing Cluster with 1000 nodes is currently being installed.

A wide arsenal of theoretical methods are available at the Chair for Computational physics at the FU Berlin: • coarse-grained simulations • quantum-chemistry ab-initio calculations • large-scale Molecular Dynamics (MD) simulations including explicit water • analytic calculations using scaling arguments, polymer theory and field-theoretical methods • network theory • stochastic modelling

FUB will, within the Dissemination & Outreach Committee, take on the role of NANOTRANS events coordination (coordinating the organization of the conference and research workshops).


Yes.


• Bavarian Elite Training Network for Complex Interfaces • Deputy Coordinator (R. Netz) of the German Excellence Cluster "Nano-Initative Munich" • Collaborative research and training project funded by BMWi, the German Ministry for economy and

technology, and administered through AiF (Union for industrial research): Simulation of salt and osmolyte influence on biological processes

R. Netz is one of the leading theoreticians in the field of Soft Matter and Statistical Physics. He contributed seminal work on electrostatic interactions including weak and strong coupling regimes. Recently he is studying nanoscale dynamics of fluids using atomistic numerical simulations. He lectured at several Summer Schools. R. Netz is an experienced and thorough supervisor, as demonstrated by the numbers above and he will be one of the key PIs in NANOTRANS training.


We are involved in: • Collaborative Research and Training group: Multivalency as chemical organization and causal

principle • Collaborative Research group: Shear flow regulation of hemostasis – bridging the gap between

nanomechanics and clinical presentation • Rresearch training group GRK1558 “Nonequilibrium Collective Dynamics in Condensed Matter and

Biological Systems”, funded by the German Research Society. • German-Israeli Foundation collaborative project: Ion specific interactions between functionalized

surfaces • Helmholtz-Graduate School for Macromolecular Bioscience


[1] Y. von Hansen, S. Gekle, R.R. Netz, Phys. Rev. Lett. 111 118103 (2013) [2] K.F. Rinne, S. Gekle, D.J. Bonthuis, R.R. Netz, Nanoletters 12 1780-1783 (2012) [3] E. Schneck, F. Sedlmeier, R. R. Netz, Proc. Natl. Acad. Sci. USA 109 14405 (2012) [4] M. Hinczewski, Y. von Hansen, R.R. Netz, Proc. Natl. Acad. Sci. USA 107 21493 (2010) [5] D. Horinek, A. Serr, M. Geisler, T. Scheibel, T. Hugel, R. R. Netz, Proc. Natl. Acad. Sci. USA 105 2842 (2008)


NANOTRANS - ETN


Beneficiary 10: UOXF University of Oxford Outreach Coordination

General Description

Oxford was ranked first in the UK and joint second in the world in the Times Higher Education Supplement’s World University Rankings 2013-2014. Oxford is repeatedly ranked in the top ten of universities worldwide in the annual tables compiled by Shanghai Jiaotong University. In 2012-13, total University income was £1.09 Billion (1.31 Billion Euros). Oxford Chemistry is one of the leading chemistry research departments in the world with around 80 full faculty members carrying out international-level research, and an annual research income of around £15 million. Oxford Chemistry offers world-class teaching, consistently rated among the best in the UK.


Prof Susan Perkin, Associate Professor, Dept. of Chemistry. 15 % Surface forces; boundary lubrication; ionic liquids; electrical double layer; thin film dynamics. Supervision: 3 ESRs (3 on-going) and 4 ER (2 on-going). Prof. Nicole Grobert, Professor of Nanomaterials, Department of Materials. 5 % Synthesis and design of carbon-based nanomaterials Supervision: 21 ESRs (11 on-going) and 11 ER (4 on-going). Prof Paul Madden, FRS, Provost of Queens College, Oxford. 5 % Simulation and prediction of properties of ionic materials and molten salts at the atomistic level.

UOXF will coordinate NANOTRANS’s communication with public by chairing the Dissemination & Outreach Committee (Perkin). Additionally, Prof Madden will oversee Career Development Plans.


General surface and materials characterisation equipment available in Oxford Chemistry: • Atomic Force Microscope • X-ray Photoelectron Spectroscopy • Mass Spec • NMR • Oher standard chemical and characterisation tools all available as user-facilities.

Information on surface analysis facilities is at the following webpage: http://saf.chem.ox.ac.uk/

Specialist equipment available for this project within Perkin and Grobert labs: • Surface Force Balance • Electrochemical Surface Force Balance • Graphene furnace / deposition chamber • Nanomaterials characterisation techniques including SEM, TEM, Raman.

Details of the materials characterisation service is at: http://www-omcs.materials.ox.ac.uk/


Yes


SP, NG and PM have been PI on research programmes including the following:

• NanoTP: "Designing novel materials for nanodevices: From Theory to Practise COST, European Commission (NG)

• Leverhulme Trust – Research Project Grant, International Network Grant (SP)


• COST Action “Understanding and Controlling Nano and Mesoscale Friction” (SP) • Academic-Industrial Initial Training Network on Innovative Biocompatible Titanium-based

Structures for Orthopaedics Marie Curie ITN, European Commission (NG) • CONTACT Marie Curie ITN, European Commission (NG) • Systematics for the catalytic growth of nanomaterials ERC Starting Grant, ERC (NG) • Sci-Generation: Next Generation of Young Scientist: Towards a Contemporary Spirit of R&I

COST (NG) • US Office of Naval Research – Research Grant (SP) • Euratom EVOL project (PM) • In addition to the above graduate programmes, SP, NG and PM regularly provide

undergraduate and graduate level lecture courses on various topics in Oxford e.g.: Soft Condensed Matter, Liquids & Solutions, States of Matter


[1] Limmer, D., Willard, A., Madden, P., Chandler, D.: Proc. Natl. Acad. Sci. USA 110, 4200 (2013) [2] J Britton, NEA Cousens, SW Coles, CD Van Engers, V Babenko, AT Murdock, A Koos , S Perkin and N Grobert, Langmuir 30 11485 (2014) [3] Perkin S., Albrecht T., Klein J.: Phys. Chem. Chem. Phys. 12, 1243 (2010) [4] Smith A.M., Lovelock K.R.J., Gosvami N.N., Perkin S.: Phys. Chem. Chem. Phys. 15,15317 (2013) [5] RJ Nicholls, J Britton, SS Meysami, AA Koós, N Grobert: Chem Commun 49, 10956 (2013)


NANOTRANS - ETN


Partner Organisation: Massachusetts Institute of Technology (MIT)

General description

MIT is a private research-focused university. MIT is a non-profit organization located in Cambridge MA, US. It covers all the major fields of scientific research and is organized in 5 schools. MIT supports collaborative research with other universities around the world and encourages academia/industry partnerships. MIT aims at carrying out cutting edge research and at opening up new fields of investigation to meet with social and economic demands. MIT in number: 10 000 students (6000 graduates), 900 professors, 80 senior research scientists, 3000 research/support staff (including post-doctoral associates)

Key Persons and Expertise

Dr Roland Pellenq, MIT Senior Research Scientist and CNRS Director of Research (5%), Head of the Joint CNRS-MIT lab / UMI 3466; supervision: 17 ER (6 on going) Prof Franz-Joseph Ulm, MIT Professor, Civil and Environmental Engineering, co-Head (5%) of the Joint CNRS-MIT lab / UMI 3466; supervision: ESR 20 (5 on going), ER 22, 7 on going.

Key Research facilities,

infrastructure and

Equipment

Experimental facilities: • Characterization of solids and their surfaces, (TEM, SEM, NMR, Raman, WDS, ...) • Mechanical testing facility (nano-indentation, nanoscratching)

Computing facilities: • own cluster with a total of ~608 CPU's • Codes: Classical polarizable molecular dynamics, Monte Carlo simulations, Finite element methods,

Frequent access to computing facilities (NICS tera-grid).

Previous and Current

Involvement in Research and

Training Programmes

• R. Pellenq is co-responsible with P. Levitz (CNRS) of the new international research network GDRI M2UN (Multi-scale Materials Under the Nanoscope).

• R. Pellenq and F. Ulm are the head and co-head of the joint CNRS-MIT lab, UMI 3466 • R. Pellenq and F. Ulm are the inceptor of the Concrete Sustainibility Hub, a lab devoted to reducing

concrete CO2 footprint (8 PI's, 25 postdocs / PhD) All participants have solid experience of teaching at the master and doctorate levels, both in national and international masters program (MIT, CSIM, Ecole des Ponts-Paris, Ecole Polytechnique, Paris).

Relevant Publications

[1] R.J.M. Pellenq, et al.: Proc. Natl. Acad. Sci. USA 106 16102 (2009) [2] M. Youssef, R.J.M. Pellenq, B. Yildiz: JACS 133 2499 (2011) [3] E. Masoero, E. Del Gado, R.J.M. Pellenq, S. Yip and F.-J. Ulm: Phys. Rev. Lett. 109, 155503 (2012).

Partner Organisation: Georgetown University (GU)

General description

Established in 1789, Georgetown University is one of the oldest USA universities and a major international research university with eight schools, an affiliated hospital and many highly ranked academic programs. It has >12,000 undergraduate and graduate students and >1300 faculty members. GU’s Institute for Soft Matter Synthesis and Metrology, or I(SM)2, launched in 2012 as the result of $6.9M grant from NIST, serves to catalyze the development of fundamental principles and measurement tools applied to Soft Matter.


Prof Emanuela Del Gado / 20% / micro-structure and rheology of engineering materials, statistical physics of soft matter and glassy systems, molecular and mesoscopic numerical simulations. Supervision: 5 ESR, 2 ER Prof Peter Olmsted / 20% / shear banding and fluid mechanics of soft matter, dynamics of polymers and soft matter, physics of proteins and lipid bilayer membranes. Supervision (in last two years): 4 ESR, 3 ER.

Key Research facilities,

infrastructure & Equipment

HPC Facilities: >500 cores. The I(SM)2 has experimental activities and infrastructure of interest to NANOTRANS, including the labs of Profs. Dan Blair and Jeff Urbach (Anton Paar MCR301 rheometer coupled with Leica SP5 confocal microscope, an Anton Paar MCR301 rheometer coupled with Leica DMI4000 B optical microscope, and a custom spinning disk confocal microscope w/optical tweezers.

Previous and Current

Involvement in Research and

Training Programmes

E. Del Gado was guest lecturer for the Graduate School Building with Molecules and Nano-objects, U of Leipzig (2010) and the Winter School on Porous Materials (U Marseille & CNRS, 2013); She co-organized CECAM schools and workshop, and periodical Swiss Soft Matter Days (http://swisssoftdays.ethz.ch/, ~80-100 participants), now in its 10th edition, involving 8 Swiss academic and industrial institutions. At ETH Zurich, she taught Masters courses in Computational Science, Engineering and Building Materials. At GU she teaches undergraduate and graduate Physics courses. She is a member of the International Research Network GDRI M2UN (Multi-scale Materials Under the Nanoscope), with 8 French and 9 US & EU labs, supported by CNRS and Lafarge. P. Olmsted has extensive experience in Research Training. He lectured physics for 15 years at undergraduate and graduate level, and for 10 years was the Director of Post-Graduate Studies in Physics at Leeds. Before arriving in GU he co-led the EU ITN DYNACOP (2008-2011), and was on the Network Coordination Committee for the NOE SOFTCOMP (2005-2009). Before leaving UK he was a co-I on successful EU ITNs SNAL and SUPOLEN (2014-), and he is a visiting expert for SUPOLEN. He co-led the application for the successful EPSRC Doctoral Training Centre SOFI (2014-). He co-organized several CECAM workshops and the Isaac Newton Programme on Complex Fluids in Evolving Domains (2013). The I(SM)2 initiated and co-organizes (with U Delaware, U Maryland, UPENN, NIST NCNR and Johns Hopkins U) the Mid-Atlantic Soft Matter (MASM) Workshops, for promoting interaction among soft matter researchers from academic, industrial and national laboratories in the Mid-Atlantic region.

Relevant Publications

[1] E. Masoero, E. Del Gado, R.J.-M. Pellenq, S. Yip and F.-J. Ulm: Phys. Rev. Lett. 109, 155503 (2012) [2] O. S. Agimelen, and P.D. Olmsted: Phys. Rev. Lett. 110, 204503 (2013). [3] C Das, M Noro, and P.D. Olmsted: Phys. Rev. Lett, 111, 141801 (2013).


NANOTRANS - ETN


Partner Organisation ARESIS d.o.o. (ARESIS) General description

Aresis d.o.o. is a small spin-off company based in Ljubljana, Slovenia specialized in production of optical scientific instruments. Its major products are optical tweezers systems and rapid prototyping systems for microfluidics. The company was started in 2004 and has steadily extended its range of products and expertise in particularly through close collaboration with research institutions like University of Ljubljana and Jozef Stefan Institute. As a spin-off the company continually seeks close contacts with academic community as well as larger industrial partners, which require scientific instrumentation from its field of expertise. Much of the collaboration is in R&D field of general optics, laser techniques; specialized optical components etc. thus facilitating a direct knowledge and expirinece transfer in both directions.


Dr Dušan Babič: Aresis d.o.o. & Dept. of Physics, University of Ljubljana: Design and engineering of optical instrumentation, Experimental statistical physics supervision: 5 ESR (3 on-going), 1 ER (on-going)

Dr Igor Poberaj: Aresis d.o.o. & Dept. of Physics, University of Ljubljana: Laser techniques, Design and engineering of specialized electronic components, Experimental bio-physics supervision: 4 ESR (2 on-going)

Key Research facilities, infrastructure and Equipment

Production facilites/ Infrastructure: Optical tweezers development system Maskeless UV photo-lythography development system Optical and mechanical CAD/CAM SW / Electronics CAD/CAM SW

Previous and Current Involvement in Research and Training Programmes

D. Babić and I. Poberaj are full members of the ITN COMPLOIDS (FP7) through Dept. of Physics, University of Ljubljana. They take active part in organizing COMPLOIDS training events like the module on microfluidics and scientific conference Comploids 2013 to be held in Ljubljana. As members of Dept. of Physics both participants have solid experience in teaching at the undergraduate and doctorate levels. They cover courses like “Photonics”, “Classical Optics”, “Classical Mechanics”, “General experimental techniques in physics” and “Experimental techniques in biophysics”.

Relevant Publications & research/innovation product

[1] M. Vilfan, et al.: Proc. Natl. Acad. Sci. USA 107 1844 (2010) [2] G.Kokot, M.Vilfan, N.Osterman, A.Vilfan, B.Kavčič, I.Poberaj, and D.Babić: Biomicrofluidics 5 034103 (2011) [3] B. Kavčič, D. Babić, N. Osterman, B. Podobnik, and I. Poberaj: Microsyst. Technol., [in press] (2011)

Partner Organisation FLUIDIC ANALYTICS (FA) General description

Fluidic Analytics is a Cambridge, UK based SME formed in 2013 as a spin-out from the Department of Chemistry at the University of Cambridge. The company is focused on the commercialization of technologies based on microfluidic approaches to the characterization of proteins and peptides for application as laboratory analytic tools and proteomic diagnostic tools for the development of in vitro diagnostic tests for the early detection of a range of conditions. The Company has raised over £150k in grant funding and is on the verge of concluding a £1.3m Series A equity financing to bring its first products to market in laboratory analytics applications.

Main tasks: Feedback on commercial aspects of design including intellectual property, Identification of areas of pressing commercial need, Provision of route to commercialization upon project completion


Dr Tuomas Knowless: microfluidic experiments, protein characterization, molecular origins of neurodegerative diseases; supervision: 28 ESR (19 on-going), 5 ER (3 on-going) Dr. Andrew Lynn is CEO designate of Fluidic Analytics. Andrew Lynn is an entrepreneur and executive with a focus on early-stage life-sciences and clean-tech opportunities. Andrew founded regenerative medical device company Orthomimetics Ltd, based on his PhD thesis at the University of Cambridge. He then lead the company as CEO from incorporation to successful trade-sale exit. During his tenure at Orthomimetics, the company raised £7.5million in venture capital and grant funding, established commercial-scale manufacturing capabilities and brought the flagship product through pilot clinical trials to market. In 2009, he led a process that culminated in the successful sale of the company, generating a strong return for shareholders in one of the most profitable small-cap exits of 2009 worldwide. Since 2011, Dr Lynn has advised a portfolio of early-stage ventures including solid-state-lighting venture CamGaN Limited, which he led as CEO from the commencement of operations to a successful exit. His efforts have earned him recognition in both Europe and the US as one of the world’s top young innovators, leaders and entrepreneurs.

Key Research facilities, infrastructure and Equipment

Fluidic Analytics is in the process of growing its team to a total of 10 Directors and employees. Amongst the resources available to Fluidic Analytics are: access to leading European Venture Capital Funds and leading EU and US patent attorneys. Outsourced injection moulding and commercial optics design resources are available via the Company’s suppliers, and links to sales, marketing and business development resources of leading global life sciences companies are also available via Fluidic Analytics’ strategic corporate partners.


N/A

Relevant Publications & research/innovation product

[1] GB1219014.6 (Fluidic Device) with priority date 23rd October 2012 [2] GB1219014.6 (Fluidic Device) with priority date 23rd October 2012 [3] GB1219014.6 (Fluidic Device) with priority date 23rd October 2012 [4] GB 1407641.8 (Fluidic Analysis and Separation) with priority date 30th April 2014


NANOTRANS - ETN


Partner Organisation: University of Zurich (UZH) General Description

With its 26,000 enrolled students, the University of Zurich (UZH) is Switzerland's largest university. Founded in 1833, UZH was Europe's first university to be established by a democratic political system; today, UZH is one of the foremost universities in the German-speaking world. Made up of seven faculties covering some 100 different subject areas, the University offers a wide variety of Bachelor's, Master's and PhD programs. As a member of the "League of European Research Universities" (LERU), the University of Zurich belongs to Europe's most prestigious research institutions. To date, the Nobel Prize has been conferred on twelve UZH scholars.


Madhavi Krishnan, Assistant Professor, Dept. of Chemistry, Affiliated Member, Dept. of Physics / 25 % Nanoscale electrostatics; Supervision: 3 ESRs (2 on-going) and 1 ER (on-going).


Experiments: The research will be performed at my laboratory at the Dept. of Chemistry, UZH. In addition to commercial instrumentation such as Phase Analysis Light Scattering for bulk measurements on colloids, my lab specializes in home-built instrumentation for single molecule trapping and microscopy: Electrostatic fluidic trap methodology, Scattering interferometry (i-SCAT), Single molecule fluorescence. Electron microscopy, confocal and super-resolution optical microscopy are available at central university facilities and we have access to the State-of-the-art Nanofabrication facility at ETH Zurich (FIRST Center for Micro- and Nanoscience http://www.first.ethz.ch/) Theory and Simulation: Numerical calculations of electrostatic interactions and electrokinetic phenomena based Poisson Boltzmann theory. Brownian dynamics simulations of trapped particles.


Alexander von Humboldt Fellowship, 2004-2006 Marie Curie Intra-European Fellowship, 2009-2011(PhotoNanoFluidix)

Relevant Publication, research

[1] Krishnan et al., Nature 467, 692-695 (2010) [2] Mojarad & Krishnan, Nature Nanotechnology 7, 448-452 (2012) [3] Celebrano et al., Nano Letters 12, 5791-5796 (2012)


NANOTRANS - ETN


6. ETHICS ISSUES: No ethics issues.

7. LETTERS OF COMMITMENT

7.1 Massachusetts Institute of Technology (MIT)

Dr. Roland J.

Directeur de Recherche au CNRS Multi-Scale Materials Science for Energy and Environment

CNRS-MIT E19-722, 77 Massachusetts Avenue

Cambridge, 02139, MA US

EMAILSTel : (33) 6 62 92 28 33 / (1) 617

I am honored to have receiveproposed ITN network NANOTRANSare several overlapping intereststopics here at MIT within the newly created CNRSlike to contribute to the following NANOTRANS topics - Nanofluidics - Dynamical aspect of ionic correlations in electrolyte suspensions- Nano-colloidal suspensions and nanopores I would be like to offer secondments opportunities to PhD students workingprojects, two-way research visits of Pmanagement through participation in the Supervisory Board. My lab can complementthe PhD programs by offering training on subtechniques as well on implementing multiscale computational approaches for porous materials. I already have collaborations with several NANOTRANSDel Gado (Georgetown U.), Prof.Rotenberg and Prof. Virginie Marry (contribute to the organization of the Advanced Training Module on Materials Sincerely,

Dr. Roland J.-M. Pellenq (Head)

Directeur de Recherche au CNRS MIT Senior Research Scientist

Science for Energy and Environment

Avenue

Department of Civil and Environmental Engineering MASSACHUSETTS INSTITUTE OF TECHNOLOGY

1-374, 77 Massachusetts AvenueCambridge, 02139, MA

US

MAILS: [email protected] / [email protected] Tel : (33) 6 62 92 28 33 / (1) 617 932 9594 / (1) 617 253 7117

Cambridge, January 12th 2015

received your invitation to participate to participate in the proposed ITN network NANOTRANS as associate members. I'm glad to accept. are several overlapping interests between NANOTRANS projects and our

here at MIT within the newly created CNRS-MIT joint lab, <MSE>lowing NANOTRANS topics:

Dynamical aspect of ionic correlations in electrolyte suspensions colloidal suspensions and nanopores

I would be like to offer secondments opportunities to PhD students workingway research visits of PIs, as well as my involvement in the network

management through participation in the Supervisory Board. My lab can complementthe PhD programs by offering training on sub-micron poro-mechanical testing

ques as well on implementing multiscale computational approaches for

I already have collaborations with several NANOTRANS scientists: Prof. Emanuela Prof. Lydéric Bocquet (CNRS/ENS-Paris), Dr. Benjamin

and Prof. Virginie Marry (PHENIX, CNRS/U. Paris VI). I will be happy to contribute to the organization of the Advanced Training Module on Materials.

Roland Pellenq

Senior Research Scientist

Department of Civil and Environmental Engineering ECHNOLOGY

Avenue Cambridge, 02139, MA

January 12th 2015

participate in the glad to accept. There

between NANOTRANS projects and our research <MSE>2. I would

I would be like to offer secondments opportunities to PhD students working on these ment in the network

management through participation in the Supervisory Board. My lab can complement mechanical testing

ques as well on implementing multiscale computational approaches for advanced

Prof. Emanuela , Dr. Benjamin

I will be happy to .


NANOTRANS - ETN


7.2 Georgetown University (GU)

Emanuela Del Gado Associate Professor Department of Physics Institute for Soft Matter Synthesis and Metrology Regents Hall 426

Email: [email protected] Tel. +1 (202) 687-1489

09 January 2015 Dear Colleagues, I am extremely pleased to accept your invitation to join the NANOTRANS ITN network. Having recently moved to USA, I cannot participate as a full member, but I am very happy to be a partner and to actively contribute to research, training and management of NANOTRANS. The Institute for Soft Matter Synthesis and Metrology at Georgetown University, I(SM)2, of which I am a member, is ready to host a secondment of the NANOTRANS PhD student from University of Cambridge working on electrokinetic flow in systems of deformable (nano)colloids. I(SM)2 has been recently established at Georgetown University to be a major player in promoting interaction among soft matter researchers from academic, industrial and national laboratories in the Mid-Atlantic region. Our contribution to research training will provide insight into theoretical and computational approaches for nonequilibrium statistical mechanics, arrested dynamics and (micro)rheology. In view of the outstanding research program put together by the NANOTRANS consortium, we are certainly interested to host also other secondments or research visits. I am also honoured to accept your invitation to be a member of the NANOTRANS Supervisory Board and offer to contribute to the Advanced Training module (T8) on Advanced Materials and Engineering. My research in the last few years, first at ETH Zurich and now at Georgetown University, has been focused to understand micro-structure formation and non-linear mechanics of materials of interests for engineering applications, ranging from new generations of nano-composites to novel green formulations of old materials like cement. The research in my group is carried out is done in close collaboration with experimentalists in Physics and Material Science, but also with Chemists, Mechanical and Civil Engineers to apply our approaches to complex gels, setting cement, and biomaterials. The possibility to combine these competences with the program proposed by NANOTRANS has great potential and I am looking forward to it. Sincerely, Emanuela Del Gado Associate Professor of Physics


NANOTRANS - ETN


7.3 ARESIS d.o.o (ARESIS)

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NANOTRANS - ETN


7.4 Fluidic Analytics (FA)

6th January 2015 Dear Dr Jure Dobnikar, We are excited to be invited to participate in the ITN research-training program NANOTRANS. We are an SME company based in Cambridge, UK (a spin-off from a University research lab) focused on development and launch of lab-based tools for protein characterization and on adaptation of these technologies for biomedical diagnostic applications. The research topics proposed in NANOTRANS are closely related to our interests and our participation in this excellent initiative will be beneficial to the company growth. We would like to participate in NANOTRANS as an associate member offering secondment opportunities to PhD students. Besides an insight into novel microfluidic methods for macromolecular characterization we are developing, we shall familiarise the students with specifics of research in industrial environment, including topics such as developing a product, managing R&D projects, handling IP rights, establishing a spin-off company, etc. We will be happy to contribute to the network-wide training modules described in the proposal, as well as to participate in the NANOTRANS Supervisory Board. Sincerely, Dr Tuomas Knowles Founder and Chief Scientific Officer Fluidic Analytics

Dr Andrew Lynn Chief Executive Officer Fluidic Analytics

Fluidic Analytics Ltd Second Floor 77 Kingsway London WC2B 6SR United Kingdom


NANOTRANS - ETN


7.4 University of Zurich (UZH)

Page 1/1

Department of Chemistry University of Zurich Institute of Physical Chemistry Winterthurerstrasse 190 CH-8057 Zurich www.pci.uzh.ch

UZH, Department of Chemistry, Winterthurerstr. 190, CH-8057 Zurich

Prof. Dr. Madhavi Krishnan Assistant Professor Phone +41 44 635 44 65 [email protected]

!

The!European!Commission! Zurich, 10.01.2015

Letter of Commitment

Dear colleagues,

With this letter I wish to express my intention to cooperate with NANOTRANS ITN network, co-ordinated by Dr. Jure Dobnikar, University of Cambridge. For formal reasons, it is currently not possible for the University of Zurich to participate as a beneficiary in this call (H2020-MSCA-ITN-2014) and we will act as a partner organization. Nonetheless the State Secretariat of Education, Research and Innovation (SERI) in Switzerland will offer funding to cover the costs incurred by the participation of Swiss partners, which will enable us to fully participate in this proposal: we will act as a participant, contribute to training and recruiting ESRs (with our own funding) and collaborate with other nodes as originally planned. If the proposal is successful I plan to recruit 1 ESR for a period of 48 months. A secondments/research visit of ESR8 from University of Cambridge is planned for a period of 2 months. We look forward to hosting this and other possible secondments of NANOTRANS ESRs in Zurich. Below, please find an outline of the research proposal that fits into the Workpackage WP1 (Nanofluidics):

Measurements of effective charge on single macromolecules using an electrostatic fluidic trap

PI: Madhavi Krishnan Collaborators: J. Dobnikar, I. Pagonabarraga, R. Netz, E. Trizac

We recently demonstrated the ability to trap single charged nanoscale objects in solution using a fluidic nanoslit. Tailoring the geometry of

the walls of the fluidic slit gives rise to local electrostatic potential wells that passively confine single charged entities for long periods.

Importantly, we showed that relating the statistical properties of a trapped object’s motion to a free energy calculation permits a direct

measurement of its charge, theoretically offering single charge resolution on an effective charge up to ~50 e per particle, on timescales of

ms to seconds. Since the measurement is performed at thermal equilibrium, this experimental system is decoupled from electrokinetic

effects, which allows us to directly probe particle charge with unprecedented charge and time resolution. Objectives: We will perform precise measurements of effective charge on single macromolecules, not possible thus far with ensemble

measurements. We will use DNA molecules and charged dendrimers as model rods and spheres that offer a well-known, effectively

dispersion-free structural charge, ideal for testing theoretical predictions of charge renormalization. We will develop new measurement

methodologies that allow us to extract the charge on a particle from a single instantaneous snapshot of its motion in a trap, while time-

resolved imaging will be used to extract temporal fluctuations around the mean charge, potentially leading the way to the study the binding

interactions between molecules that are important both from a fundamental perspective as well as in the more application oriented

development of new chemical sensors and detection methodologies. While the scope of this project is mainly experimental, it also has a

strong theoretical component that will involve adapting existing theory dealing with objects in free solution to objects in a confined space.

Furthermore, we will collaborate with ESR6, ESR8 and ESR10 to investigate the curious experimentally observed confinement-induced

attractions between a charged object and the edges of a like-charged fluidic slit.

Expected Results: • Precise measurements of effective charge on single macromolecules (DNA, charged dendrimers, proteins) in fluidic nanoslits • Investigations of molecular binding interactions via measurements of temporal charge fluctuations • Theoretical explanation of the unexpected observation of confinement-induced attraction in nanoslits

Please do not hesitate to contact me if you have any further questions or concerns.

Sincerely,

Madhavi Krishnan


NANOTRANS - ETN


ENDPAGE

MARIE SKŁODOWSKA-CURIE ACTIONS

Innovative Training Networks (ITN) Call: H2020-MSCA-ITN-2015

PART B

Transport of Soft Matter at the Nanoscale

“NANOTRANS”

This proposal is to be evaluated as:

[ETN]


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