Combining Machine Learning and Computational Chemistry for Predictive Insights Into Chemical Systems

Authors: John A. Keith, Valentin Vassilev-Galindo, Bingqing Cheng, Stefan Chmiela, Michael Gastegger, Klaus-Robert Müller, Alexandre Tkatchenko

Published: 2021-07-07

DOI: 10.1021/acs.chemrev.1c00107

Source: Full article

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Abstract

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