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"sGDML: Constructing accurate and data efficient molecular force fields ..."
Stefan Chmiela et al. (2019)
- 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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