Extended DeepILST for Various Thermodynamic States and Applications in Coarse-Graining.

Jeong, J; Moradzadeh, A; Aluru, N R

Jeong, J; Moradzadeh, A; Aluru, N R.

Afiliação

Jeong J; Department of Mechanical Science and Engineering, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801 United States.
Moradzadeh A; Department of Mechanical Science and Engineering, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801 United States.
Aluru NR; Walker Department of Mechanical Engineering, Oden Institute for Computational Engineering & Sciences, The University of Texas at Austin, Austin, Texas 78712 United States.

J Phys Chem A ; 126(9): 1562-1570, 2022 Mar 10.

Article em En | MEDLINE | ID: mdl-35201773

Assuntos

Aprendizado Profundo; Simulação de Dinâmica Molecular; Entropia; Termodinâmica

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Simulação de Dinâmica Molecular / Aprendizado Profundo Tipo de estudo: Prognostic_studies Idioma: En Revista: J Phys Chem A Assunto da revista: QUIMICA Ano de publicação: 2022 Tipo de documento: Article

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