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Stefano de Gironcoli Scuola Internazionale Superiore di Studi Avanzati Trieste-Italy Machine Learning for Material Science Machine Learning for Material Science Machine Learning for Material Science (a biased introduction)

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Page 1: Machine Learning for Material Science (a biased introduction)

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)

Page 2: Machine Learning for Material Science (a biased introduction)

Yusuf Shaidu SISSA PhD 2020

Page 3: Machine 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

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