Accuracy Assessment of Atomistic Neural Network Potentials: The Impact of Cutoff Radius and Message Passing.

Xia, Junfan; Zhang, Yaolong; Jiang, Bin

Xia, Junfan; Zhang, Yaolong; Jiang, Bin.

Afiliação

Xia J; Key Laboratory of Precision and Intelligent Chemistry, Department of Chemical Physics, University of Science and Technology of China, Hefei, Anhui 230026, China.
Zhang Y; École Polytechnique FFlytech de Lausanne, 1015 Lausanne, Switzerland.
Jiang B; Key Laboratory of Precision and Intelligent Chemistry, Department of Chemical Physics, University of Science and Technology of China, Hefei, Anhui 230026, China.

J Phys Chem A ; 127(46): 9874-9883, 2023 Nov 23.

Article em En | MEDLINE | ID: mdl-37943102

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Texto completo: 1 Coleções: 01-internacional 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: China

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