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• W2906453878 abstract "Machine learning models, trained to reproduce molecular dynamics results, help interpreting simulations and extracting new understanding of chemistry." @default.
• W2906453878 created "2019-01-01" @default.
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• W2906453878 date "2019-01-01" @default.
• W2906453878 modified "2023-10-18" @default.
• W2906453878 title "How machine learning can assist the interpretation of <i>ab initio</i> molecular dynamics simulations and conceptual understanding of chemistry" @default.
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• W2906453878 doi "https://doi.org/10.1039/c8sc04516j" @default.
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