sGDML: Constructing accurate and data efficient molecular force fields using machine learning

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

Journal title: Computer Physics Communications

Journal number: 240

Journal publisher: Elsevier BV

Published year: 2019

Published pages: 38-45

DOI identifier: 10.1016/j.cpc.2019.02.007

ISSN: 0010-4655