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

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

Journal title: Chem. Rev.

Journal number: 00092665

Journal publisher: American Chemical Society

Published year: 2021

DOI identifier: 10.1021/acs.chemrev.1c00107

ISSN: 0009-2665