Dividing the Periodic Box into Subdivisions with Their Surroundings to Accelerate Molecular Dynamics Simulation with High Accuracy.

Liu, Cui; Zhao, Jian; Yang, Zhong-Zhi; Zhao, Dong-Xia.

Afiliação

Liu C; School of Chemistry and Chemical Engineering, Liaoning Normal University, Dalian 116029, People's Republic of China.
Zhao J; School of Chemistry and Chemical Engineering, Liaoning Normal University, Dalian 116029, People's Republic of China.
Yang ZZ; School of Chemistry and Chemical Engineering, Liaoning Normal University, Dalian 116029, People's Republic of China.
Zhao DX; School of Chemistry and Chemical Engineering, Liaoning Normal University, Dalian 116029, People's Republic of China.

J Chem Theory Comput ; 16(12): 7618-7631, 2020 Dec 08.

Article em En | MEDLINE | ID: mdl-33231445

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2020 Tipo de documento: Article

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2020 Tipo de documento: Article