Accelerating the search for global minima on potential energy surfaces using machine learning.

Carr, S F; Garnett, R; Lo, C S.

Afiliação

Carr SF; Department of Energy, Environmental and Chemical Engineering, Washington University in St. Louis, St. Louis, Missouri 63130, USA.
Garnett R; Department of Computer Science and Engineering, Washington University in St. Louis, St. Louis, Missouri 63130, USA.
Lo CS; Department of Energy, Environmental and Chemical Engineering, Washington University in St. Louis, St. Louis, Missouri 63130, USA.

J Chem Phys ; 145(15): 154106, 2016 Oct 21.

Article em En | MEDLINE | ID: mdl-27782478

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Base de dados: MEDLINE Idioma: En Ano de publicação: 2016 Tipo de documento: Article

Base de dados: MEDLINE Idioma: En Ano de publicação: 2016 Tipo de documento: Article