Low-Scaling Algorithm for Nudged Elastic Band Calculations Using a Surrogate Machine Learning Model.

Garrido Torres, José A; Jennings, Paul C; Hansen, Martin H; Boes, Jacob R; Bligaard, Thomas

Garrido Torres, José A; Jennings, Paul C; Hansen, Martin H; Boes, Jacob R; Bligaard, Thomas.

Afiliación

Garrido Torres JA; Stanford University, Department of Chemical Engineering, Stanford, California 94305, USA.
Jennings PC; SUNCAT Center for Interface Science and Catalysis, Stanford Linear Accelerator Center, Menlo Park, California 94025, USA.
Hansen MH; Stanford University, Department of Chemical Engineering, Stanford, California 94305, USA.
Boes JR; SUNCAT Center for Interface Science and Catalysis, Stanford Linear Accelerator Center, Menlo Park, California 94025, USA.
Bligaard T; Stanford University, Department of Chemical Engineering, Stanford, California 94305, USA.

Phys Rev Lett ; 122(15): 156001, 2019 Apr 19.

Article en En | MEDLINE | ID: mdl-31050513

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Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Tipo de estudio: Prognostic_studies Idioma: En Revista: Phys Rev Lett Año: 2019 Tipo del documento: Article País de afiliación: Estados Unidos

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