"sGDML: Constructing accurate and data efficient molecular force fields ..."

Stefan Chmiela et al. (2019)

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DOI: 10.1016/J.CPC.2019.02.007

access: open

type: Journal Article

metadata version: 2023-03-21

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Stefan Chmiela, Huziel Enoc Sauceda Felix, Igor Poltavsky, Klaus-Robert Müller, Alexandre Tkatchenko:
sGDML: Constructing accurate and data efficient molecular force fields using machine learning. Comput. Phys. Commun. 240: 38-45 (2019)

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