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Unified theory of atom-centered representations and message-passing machine-learning schemes.
Nigam, Jigyasa; Pozdnyakov, Sergey; Fraux, Guillaume; Ceriotti, Michele.
Afiliação
  • Nigam J; Laboratory of Computational Science and Modeling, Institute of Materials, École Polytechnique Fédérale de Lausanne, 1015 Lausanne, Switzerland.
  • Pozdnyakov S; Laboratory of Computational Science and Modeling, Institute of Materials, École Polytechnique Fédérale de Lausanne, 1015 Lausanne, Switzerland.
  • Fraux G; Laboratory of Computational Science and Modeling, Institute of Materials, École Polytechnique Fédérale de Lausanne, 1015 Lausanne, Switzerland.
  • Ceriotti M; Laboratory of Computational Science and Modeling, Institute of Materials, École Polytechnique Fédérale de Lausanne, 1015 Lausanne, Switzerland.
J Chem Phys ; 156(20): 204115, 2022 May 28.
Article em En | MEDLINE | ID: mdl-35649823

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2022 Tipo de documento: Article

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2022 Tipo de documento: Article