POCKET PROGRAM

27 August – 1 September 2017 Munich, Germany

WATOC 201711th Triennial Congress of the World Association of Theoretical and Computational Chemists

2O17

www.watoc2017.com

Sponsors & ExhibitorsWe thank all of our sponsors and exhibitors for their support.

Platinum Sponsors

Silver Sponsor Bronze Sponsor

Sponsors & Exhibitors

Program – Sunday, 27 August 2017

Time Philharmonic Hall

15:00– 15:50

Opening Ceremony

15:50– 17:10

Plenary Session ATodd Martinez

Benedetta Mennucci

17:10– 17:40

Coffee Break

17:40– 19:00

Plenary Session B Trygve HelgakerHelmut Schwarz

Time Foyer

12:00– 15:00

Registration

Time Foyer

19:00– 22:00

Welcome Reception – supported by BASF

Program – Monday, 28 August 2017

TimePhilharmonic

HallCarl-Orff Hall Black Box

09:00– 09:40

Plenary Session CEdward Valeev

09:40– 10:10

Coffee Break

10:10– 12:15

Invited Session 1 Peter Gill

Garnet ChanJürgen Gauss

Poul JørgensenMartin Head-Gordon

Invited Session 2Peter Schwerdtfeger

Kwang Soo Kim Jean-Luc Bredas Marco Bernardi

Jochen Blumberger

Invited Session 3Lucas VisscherNeepa Maitra

Sharon Hammes-SchifferEberhard Gross

Katarzyna Pernal12:15– 13:45

Lunch Break

13:45– 15:50

Invited Session 7Jeremy Harvey

Peter Richard SchreinerLeo Radom

Yitzhak ApeloigKendall Houk

Invited Session 8Gustavo Scuseria

Hans-Joachim WernerÖrs Legeza

Jeppe OlsenJohn Stanton

Invited Session 9Weitao YangPeter Pulay

Henry F. SchaeferDage Sundholm

Petr Carsky15:50– 16:20

Coffee Break

16:20– 18:20

Contributed Session 1Georg Schreckenbach

Lorenzo MaschioMarek Sierka

Joao B. L. MartinsWolfgang Hieringer

Ralf TonnerAntti KarttunenJon M. Matxain

Contributed Session 2Thomas KühneTristan Bereau

Ragnar BjornssonAlister PageOlaf Wiest

Dmitry NerukhLaurence Leherte

Xabier Lopez

Contributed Session 3Shirin FarajiOliver Kühn

Debashree GhoshDaniel Roca-Sanjuán

Bo DurbeejLászló Turi

Luca De VicoValérie Brenner

18:20– 20:00

Dinner Break

20:00– 22:00

Foyer

Poster Session 1 – supported by ACS Energy Letters

Program – Monday, 28 August 2017

Small Concert Hall

Carl-Amery HallMultipurpose

RoomTime

09:00– 09:40

Coffee Break09:40– 10:10

Invited Session 4Kenneth RuudPekka PyykköWenjian LiuTrond Saue

Marcel Swart

Invited Session 5Hiromi NakaiNuria LopezTore Brinck

Stuart MacgregorMichelle Coote

Invited Session 6Odile EisensteinMichael BuehlGustavo AucarIbon Alkorta

Sotiris Xantheas

10:10– 12:15

Lunch Break12:15– 13:45

Invited Session 10Kurt Kremer

Florian Müller-PlatheChristoph Dellago

Christine PeterAlexander Nemukhin

Invited Session 11David Clary

Irene BurghardtRoland Mitric

Ivano TavernelliGraham Worth

Invited Session 12Benjamin Fingerhut

Christel MarianIlaria Ciofini

Satoshi MaedaHenrik Koch

13:45– 15:50

Coffee Break15:50– 16:20

Contributed Session 4Manabu SugimotoTetsuya Taketsugu

Mark WallerSeiji Mori

Woo Youn KimAnoop AyyappanWolfgang Quapp

Michael Springborg

Contributed Session 5Andreas Hauser

Raul Alvarez-IdaboyAlbeiro Restrepo

Alessandro ContiniPrzemyslaw Dopieralski

Joonkyung JangPetra Imhof

Wieslaw Nowak

Contributed Session 6Mercedes AlonsoDaniel Aravena

Alexandre MagalhãesMichal StrakaMatthias LeinJuan F. Espinal

Oscar Lung Wa ChungAmalia I. Poblador Bahamonde

16:20– 18:20

Dinner Break18:20– 20:00

Foyer 20:00– 22:00Poster Session 1 – supported by ACS Energy Letters

Program – Tuesday, 29 August 2017

TimePhilharmonic

HallCarl-Orff Hall Black Box

09:00– 09:40

Plenary Session DGiulia Galli

09:40– 10:10

Coffee Break

10:10– 12:15

Invited Session 13Walter Thiel

Stefan GrimmeFrank Jensen

Siewert-Jan MarrinkJan H. Jensen

Invited Session 14Ali Alavi

Seiichiro Ten-noRoi Baer

David TannorMark Gordon

Invited Session 15Leticia González

Roland LindhChantal DanielGeorge Schatz

Joseph Subotnik12:15– 13:45

Lunch Break

13:45– 15:50

Invited Session 19Teresa Head-Gordon

Jiali GaoModesto Orozco

Shina Caroline Lynn KamerlinHelmut Grubmüller

Invited Session 20Don Truhlar

Carlo AdamoKieron Burke

G. Narahari SastryDavid Sherrill

Industry Session 1Peter Deglmann

Christoph TaeschlerMichael Edmund Beck

Marcel VerdonkThomas Fox

15:50– 16:20

Coffee Break

16:20– 18:20

Contributed Session 7Mario Piris

Heather KulikPierre-Francois Loos

Henk EshuisJiri Klimes

Eduard MatitoJan Rezác

Ekaterina Pas

Contributed Session 8Andrey RogachevCarsten Baldauf

Brian YatesHélène Bolvin

Masato KobayashiLubomír RulíšekZahra Jamshidi

Jean Christophe Tremblay

Industry Session 2Glenn JonesHanne FalsigMartin Letz

Matthias BremerThomas Eckl

18:20– 20:00

Dinner Break

20:00– 22:00

Foyer

Poster Session 2 – supported by The Journal of Physical Chemistry

Program – Tuesday, 29 August 2017

Small Concert Hall

Carl-Amery HallMultipurpose

RoomTime

09:00– 09:40

Coffee Break09:40– 10:10

Invited Session 16Joel BowmanRobert Berger

R. Benny GerberLorenz S. Cederbaum

Sergey Yurchenko

Invited Session 17Fernando MartinShaul Mukamel

H. Bernhard SchlegelPeter SaalfrankPeter Knowles

Invited Session 18Zexing CaoTim Clark

Markus MeuwlySereina Riniker

Xuhui Huang

10:10– 12:15

Lunch Break12:15– 13:45

Invited Session 21Michele Parrinello

Ulf RydeZhipan Liu

GuanHua ChenMichele Pavanello

Invited Session 22Elfi Kraka

Gabriel MerinoRaghavan B. Sunoj

Gopalan RajaramanLaura Gagliardi

Invited Session 23Takeshi YanaiClaudia DraxlBeate Paulus

Krzysztof SzalewiczWanZhen Liang

13:45– 15:50

Coffee Break15:50– 16:20

Contributed Session 9Masayoshi NakanoCarmen Herrmann

Takatoshi FujitaPaula Homem-de-Mello

Tangui Le BahersBasile F. E. Curchod

William GloverMatthias Stein

Contributed Session 10Mercè Deumal

Nathalie GuiheryAnnika BandeMartin Rahm

Ian MackinnonFernando Ruipérez

Toyokazu IshidaEliseo Ruiz

Contributed Session 11Ferran FeixasSnezana Zaric

Vladimir PalyulinJosé Pedro Cerón-Carrasco

Niels HansenJanos DaruAllan EastOle Swang

16:20– 18:20

Dinner Break18:20– 20:00

Foyer 20:00– 22:00Poster Session 2 – supported by The Journal of Physical Chemistry

Program – Wednesday, 30 August 2017

TimePhilharmonic

HallCarl-Orff Hall Black Box

09:00– 09:40

Plenary Session EPavel Hobza

09:40– 10:10

Coffee Break

10:10– 12:15

Invited Session 24Alan Aspuru-Guzik

Michele CeriottiMarkus Reiher

Matthias SchefflerGregory Voth

Invited Session 25Sason Shaik

Clemence CorminboeufJulia Rice

Matthias BickelhauptWilliam Hase

Invited Session 26Karsten ReuterFabrizia Negri

Mariachiara PastoreBiswarup Pathak

Zhigang Shuai12:15– 13:00

Lunch Break

13:00– 20:00

Excursions

20:00– 22:00

Löwenbräukeller (Address: Nymphenburger Str. 2)

Congress Dinner

Program – Wednesday, 30 August 2017

Small Concert Hall

Carl-Amery HallMultipurpose

RoomTime

09:00– 09:40

Coffee Break09:40– 10:10

Invited Session 27David Tozer

Hannes JonssonJulien ToulouseErin R. Johnson

Matthias Ernzerhof

Invited Session 28Marcus Elstner

Elena Laura Coitiño IzaguirreMatthias Heyden

Ville KailaHolger Gohlke

Invited Session 29Bogumil Jeziorski

Manuel YanezJohannes Kästner

Eluvathingal D. JemmisPéter G. Szalay

10:10– 12:15

Lunch Break12:15– 13:00

Excursions13:00– 20:00

Löwenbräukeller (Address: Nymphenburger Str. 2) 20:00– 22:00Congress Dinner

Program – Thursday, 31 August 2017

TimePhilharmonic

HallCarl-Orff Hall Black Box

09:00– 09:40

Plenary Session FHiroshi Nakatsuji

09:40– 10:10

Coffee Break

10:10– 12:15

Invited Session 30Filipp FurcheAxel BeckeEunji Sim

Andreas GörlingPaul Ayers

Invited Session 31Josef Michl

Gernot FrenkingMarco Nascimento

Julia Contreras-GarcíaRussell J. Boyd

Invited Session 32Chiara CappelliJacob Kongsted

Lyudmila SlipchenkoFred Manby

Kurt V. Mikkelsen12:15– 13:45

Lunch Break

13:45– 15:50

Invited Session 36Richard Henchman

Johan AqvistQiang Cui

Pavel JungwirthGerhard Hummer

Invited Session 37Marcel Nooijen

Georg KresseSilke Biermann

Volker BlumGregory Beran

Invited Session 38So Hirata

Dominika ZgidDenis Jacquemin

Lucia ReiningWim Klopper

15:50– 16:20

Coffee Break

16:20– 18:20

Contributed Session 12Jan M.L. Martin

Ricardo MataPeter Nagy

Graham FletcherJean-Philip Piquemal

Joonsuk HuhLuca Frediani

Sebastian Höfener

Contributed Session 13Nick Mayhall

Remco HavenithAndrzej L SobolewskiThomas Koerzdoerfer

Emanuele CocciaRobert Góra

Isabelle NavizetStefan Knippenberg

Contributed Session 14Stella Stopkowicz

Sandra LuberMalgorzata Biczysko

Takeshi IwasaFranco Egidi

Sergei IvanovStepan Sklenak

Alfonso Hernandez-Laguna18:20– 20:00

Dinner Break

20:00– 22:00

Foyer

Poster Session 3 – supported by ACS Publications

Program – Thursday, 31 August 2017

Small Concert Hall

Carl-Amery HallMultipurpose

RoomTime

09:00– 09:40

Coffee Break09:40– 10:10

Invited Session 33Anna KrylovXiaosong Li

Andreas DreuwSpiridoula Matsika

John Herbert

Invited Session 34Rodney J. Bartlett

Andreas KöhnShuhua LiJiri Pittner

Ove Christiansen

Invited Session 35Pedro Fernandes

Yiqin GaoYoung Min Rhee

Carmay LimDavid Smith

10:10– 12:15

Lunch Break12:15– 13:45

Invited Session 39Toru Shiozaki

David TewYuki Kurashige

Hans Jørgen Aagaard JensenPiotr Piecuch

Invited Session 40Patrick NormanDaniel Crawford

Benoît ChampagneSonia CorianiAntonio Rizzo

Invited Session 41Igor Alabugin

Miroslav UrbanAttila CsaszarAnnia Galano

Munir Skaf

13:45– 15:50

Coffee Break15:50– 16:20

Contributed Session 15Martin KauppLars Goerigk

Sergei VyboishchikovArindam Chakraborty

István MayerFan Wang

Mikael P. JohanssonRan Friedman

Contributed Session 16Mark Iron

Sílvia SimonUlrike Salzner

Hong-Xing ZhangMartial Boggio-Pasqua

Aurélie PerrierDavid Henry

Thibaud Étienne

Contributed Session 17José Enrique Barquera-Lozada

Fabio PichierriAndrás Stirling

Leonardo BelpassiApostolos Kalemos

David WilsonIgnacy Cukrowski

Hugo Gattuso

16:20– 18:20

Dinner Break18:20– 20:00

Foyer 20:00– 22:00Poster Session 3 – supported by ACS Publications

Program – Friday, 1 September 2017

Time Philharmonic Hall

09:00– 10:20

Plenary Session GFrancesco EvangelistaJohannes Neugebauer

10:20– 10:50

Coffee Break

10:50– 12:10

Plenary Session HUrsula Roethlisberger

Frank Neese12:10– 12:50

Closing Ceremony and Poster Awards

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Restaurant SuggestionsWe recommend that you call the restaurants to make a reservation.Also, at the Gasteig conference center, there will be food stations where you can purchase a small lunch or snack.

gastRosenheimer Str. 5, 81667 MunichOpen daily: 11:00 - 01:00Phone: +49 (0)89 48 09 82 720Distance: 1 min by footItalian and Asian cuisine

Rosi Kaffeehaus & BarRosenheimer Str. 2, 81669 MunichOpen daily: 08:00 - 01:00Phone: +49 (0)89 44 99 97 39Distance: 2 min by footModern café

KuchlverzeichnisRosenheimer Str. 10, 81669 MunichOpen daily: 17:30 - 01:00Phone: +49 (0)89 48 17 49Distance: 3 min by footTraditional Bavarian food

Kam YiRosenheimer Str. 32, 81669 MunichOpen daily: 11:30 - 23:30Phone: + 49 (0)89 44 81 366Distance: 4 min by footChinese restaurant

Chez FritzPreysingstr. 20, 81667 MunichOpen daily (except Mondays): 17:30 - 01:00Phone: +49 (0)89 44 87 676Distance: 5 min by footFrench brasserie

Restaurant SuggestionsLollo Rosso Bar(varian) GrillMilchstr. 1, 81667 MunichOpen daily: 17:00 - 01:00Phone: +49 (0)89 88 56 81 31Distance: 5 min by footBavarian restaurant

L’OsteriaInnere Wiener Str. 2, 81667 MunichOpen daily: 11:00 - 00:00Phone: +49 (0)89 62 23 28 05Distance: 7 min by footModern Italian restaurant

HofbräukellerInnere Wiener Str. 19, 81667 MunichOpen daily: 10:00 - 22:00Phone: +49 (0)89 45 99 250Distance: 7 min by footBavarian restaurant with a nice beergarden

Wirtshaus in der AuLilienstr. 51, 81669 MunichOpen daily: 17:00 - 00:00Phone: +49 (0)89 44 81 400Distance: 7 min by footFine Bavarian cuisine

Restaurant Del CavaliereWeißenburger Str. 3, 81667 MunichOpen daily: 11:30 - 00:30Phone: +49 (0)89 48 83 88Distance: 9 min by footTraditional Italian restaurant

General Information Scientific ChairProf. Dr. Christian OchsenfeldDepartment of ChemistryLudwig-Maximilians-Universität (LMU) MünchenButenandtstr. 781377 Munich, Germany

Hosting SocietyWATOCWorld Association of Theoretical and Computational Chemistswww.watoc.netwww.watoc2017.com

Organizer & Congress OfficeINTERPLAN Congress, Meeting& Event Management AGLandsberger Str. 15580687 Munich, Germanywww.interplan.dePhone: +49 (0) 89 548234 62Fax: +49 (0) 89 548234 744E-mail: watoc2017@interplan.dewww.interplan.de

Photos: © muenchen.de/münchen tourismus © Jürgen Fälchle – fotolia.de

Status: August 2017. All information is subject to change.

Notes

Landsberger Str. 155 | 80687 Munich | Germany

2O17