Molecular force fields with gradient-domain machine learning: Construction and application to dynamics of small molecules with coupled cluster forces

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Authors: Huziel E. Sauceda, Stefan Chmiela, Igor Poltavsky, Klaus-Robert Müller, Alexandre Tkatchenko

Journal title: The Journal of Chemical Physics

Journal number: 150/11

Journal publisher: American Institute of Physics

Published year: 2019

Published pages: 114102

DOI identifier: 10.1063/1.5078687

ISSN: 0021-9606