Post on 10-Dec-2021
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)
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