The ENUF method-Ewald summation based on nonuniform fast Fourier transform: Implementation, parallelization, and application.

Yang, Sheng-Chun; Li, Bin; Zhu, You-Liang; Laaksonen, Aatto; Wang, Yong-Lei

Yang, Sheng-Chun; Li, Bin; Zhu, You-Liang; Laaksonen, Aatto; Wang, Yong-Lei.

Afiliação

Yang SC; School of Computer Science, Northeast Electric Power University, Jilin, China.
Li B; School of Chemical Engineering and Technology, Sun Yat-sen University, Zhuhai, China.
Zhu YL; State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun, China.
Laaksonen A; Department of Materials and Environmental Chemistry, Arrhenius Laboratory, Stockholm University, Stockholm, Sweden.
Wang YL; State Key Laboratory of Materials-Oriented and Chemical Engineering, Nanjing Tech University, Nanjing, China.

J Comput Chem ; 41(27): 2316-2335, 2020 10 15.

Article em En | MEDLINE | ID: mdl-32808686

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Prognostic_studies Idioma: En Revista: J Comput Chem Ano de publicação: 2020 Tipo de documento: Article

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