sGDML: Constructing accurate and data efficient molecular force fields using machine learning - researchr publication authors

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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. Computer Physics Communications, 240:38-45, 2019. [doi]

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