Improving the efficiency of Monte Carlo simulations of ions using expanded grand canonical ensembles.

Hatch, Harold W; Hall, Steven W; Errington, Jeffrey R; Shen, Vincent K.

Afiliação

Hatch HW; Chemical Informatics Research Group, Chemical Sciences Division, National Institute of Standards and Technology, Gaithersburg, Maryland 20899-8380, USA.
Hall SW; Department of Chemical and Biomolecular Engineering, Clemson University, Clemson, South Carolina 29634, USA.
Errington JR; Department of Chemical and Biological Engineering, University at Buffalo, Buffalo, New York 14260, USA.
Shen VK; Chemical Informatics Research Group, Chemical Sciences Division, National Institute of Standards and Technology, Gaithersburg, Maryland 20899-8380, USA.

J Chem Phys ; 151(14): 144109, 2019 Oct 14.

Article em En | MEDLINE | ID: mdl-31615250

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2019 Tipo de documento: Article

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2019 Tipo de documento: Article