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How machine learning can assist the interpretation of ab initio molecular dynamics simulations and conceptual understanding of chemistry
Häse, Florian, Fdez. Galván, Ignacio, Aspuru Guzik, Alan, Lindh, Roland, Vacher, MorganeYear:
2019
Language:
english
Journal:
Chemical Science
DOI:
10.1039/C8SC04516J
File:
PDF, 3.74 MB
english, 2019