Application of Diffusion Monte Carlo to Materials Dominated by van der Waals Interactions.

Benali, Anouar; Shulenburger, Luke; Romero, Nichols A; Kim, Jeongnim; von Lilienfeld, O Anatole

Benali, Anouar; Shulenburger, Luke; Romero, Nichols A; Kim, Jeongnim; von Lilienfeld, O Anatole.

Afiliação

Benali A; Argonne Leadership Computing Facility, Argonne National Laboratory , Argonne, Illinois 60439, United States.
Shulenburger L; HEDP Theory Department, Sandia National Laboratories , Albuquerque, New Mexico 87185, United States.
Romero NA; Argonne Leadership Computing Facility, Argonne National Laboratory , Argonne, Illinois 60439, United States.
Kim J; Materials Science and Technology Division and Computer Science and Mathematics Division, Oak Ridge National Laboratory , Oak Ridge, Tenessee 37831, United States.
von Lilienfeld OA; Argonne Leadership Computing Facility, Argonne National Laboratory , Argonne, Illinois 60439, United States.

J Chem Theory Comput ; 10(8): 3417-22, 2014 Aug 12.

Article em En | MEDLINE | ID: mdl-26588310

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2014 Tipo de documento: Article

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2014 Tipo de documento: Article