Using multiscale preconditioning to accelerate the convergence of iterative molecular calculations.

Tempkin, Jeremy O B; Qi, Bo; Saunders, Marissa G; Roux, Benoit; Dinner, Aaron R; Weare, Jonathan

Tempkin, Jeremy O B; Qi, Bo; Saunders, Marissa G; Roux, Benoit; Dinner, Aaron R; Weare, Jonathan.

Afiliação

Tempkin JO; Department of Chemistry, The University of Chicago, Chicago, Illinois 60637, USA.
Qi B; Department of Chemistry, The University of Chicago, Chicago, Illinois 60637, USA.
Saunders MG; Department of Chemistry, The University of Chicago, Chicago, Illinois 60637, USA.
Roux B; Department of Chemistry, The University of Chicago, Chicago, Illinois 60637, USA.
Dinner AR; Department of Chemistry, The University of Chicago, Chicago, Illinois 60637, USA.
Weare J; James Franck Institute, The University of Chicago, Chicago, Illinois 60637, USA.

J Chem Phys ; 140(18): 184114, 2014 May 14.

Article em En | MEDLINE | ID: mdl-24832260

Assuntos

Algoritmos; Modelos Químicos; Modelos Moleculares; Análise Numérica Assistida por Computador; Simulação por Computador

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Algoritmos / Análise Numérica Assistida por Computador / Modelos Moleculares / Modelos Químicos Idioma: En Ano de publicação: 2014 Tipo de documento: Article

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