Parametrically Managed Activation Function for Fitting a Neural Network Potential with Physical Behavior Enforced by a Low-Dimensional Potential.

Akher, Farideh Badichi; Shu, Yinan; Varga, Zoltan; Bhaumik, Suman; Truhlar, Donald G

Akher, Farideh Badichi; Shu, Yinan; Varga, Zoltan; Bhaumik, Suman; Truhlar, Donald G.

Afiliação

Akher FB; Department of Chemistry and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, United States.
Shu Y; Department of Chemistry and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, United States.
Varga Z; Department of Chemistry and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, United States.
Bhaumik S; Department of Chemistry and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, United States.
Truhlar DG; Department of Chemistry and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, United States.

J Phys Chem A ; 127(24): 5287-5297, 2023 Jun 22.

Article em En | MEDLINE | ID: mdl-37307218

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Texto completo: 1 Base de dados: MEDLINE Idioma: En Revista: J Phys Chem A Assunto da revista: QUIMICA Ano de publicação: 2023 Tipo de documento: Article País de afiliação: Estados Unidos

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