Stefano de GironcoliScuola Internazionale Superiore di Studi Avanzati

Trieste-Italy

Machine Learning for Material ScienceMachine Learning

for Material ScienceMachine Learning

for Material Science

(a biased introduction)

Yusuf Shaidu SISSA PhD 2020

1G: global descriptor of specific molecules2G: local descriptors via Symmetry Functions3G: long-range added via locally learned charges

4G: long-range charge determined via equilibration

arXiv 2009.06484v1