High-throughput screening of tribological properties of monolayer films using molecular dynamics and machine learning.

Quach, Co D; Gilmer, Justin B; Pert, Daniel; Mason-Hogans, Akanke; Iacovella, Christopher R; Cummings, Peter T; McCabe, Clare

Quach, Co D; Gilmer, Justin B; Pert, Daniel; Mason-Hogans, Akanke; Iacovella, Christopher R; Cummings, Peter T; McCabe, Clare.

Afiliação

Quach CD; Department of Chemical and Biomolecular Engineering, Vanderbilt University, Nashville, Tennessee 37235, USA.
Gilmer JB; Interdiscplinary Materials Science, Vanderbilt University, Nashville, Tennessee 37235, USA.
Pert D; Department of Chemical and Biomolecular Engineering, Vanderbilt University, Nashville, Tennessee 37235, USA.
Mason-Hogans A; Department of Chemical and Biomolecular Engineering, Vanderbilt University, Nashville, Tennessee 37235, USA.
Iacovella CR; Department of Chemical and Biomolecular Engineering, Vanderbilt University, Nashville, Tennessee 37235, USA.
Cummings PT; Department of Chemical and Biomolecular Engineering, Vanderbilt University, Nashville, Tennessee 37235, USA.
McCabe C; Department of Chemical and Biomolecular Engineering, Vanderbilt University, Nashville, Tennessee 37235, USA.

J Chem Phys ; 156(15): 154902, 2022 Apr 21.

Article em En | MEDLINE | ID: mdl-35459321

Assuntos

Ensaios de Triagem em Larga Escala; Simulação de Dinâmica Molecular; Fricção; Aprendizado de Máquina

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Simulação de Dinâmica Molecular / Ensaios de Triagem em Larga Escala Tipo de estudo: Diagnostic_studies / Prognostic_studies / Screening_studies Idioma: En Ano de publicação: 2022 Tipo de documento: Article

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