Your browser doesn't support javascript.
loading
Recent Advances for Improving the Accuracy, Transferability, and Efficiency of Reactive Force Fields.
Leven, Itai; Hao, Hongxia; Tan, Songchen; Guan, Xingyi; Penrod, Katheryn A; Akbarian, Dooman; Evangelisti, Benjamin; Hossain, Md Jamil; Islam, Md Mahbubul; Koski, Jason P; Moore, Stan; Aktulga, Hasan Metin; van Duin, Adri C T; Head-Gordon, Teresa.
Afiliação
  • Leven I; Pitzer Center for Theoretical Chemistry, Department of Chemistry, University of California, Berkeley, California 94720, United States.
  • Hao H; Chemical Sciences Division, Lawrence Berkeley National LaboratoryBerkeley, California 94720, United States.
  • Tan S; Pitzer Center for Theoretical Chemistry, Department of Chemistry, University of California, Berkeley, California 94720, United States.
  • Guan X; Chemical Sciences Division, Lawrence Berkeley National LaboratoryBerkeley, California 94720, United States.
  • Penrod KA; College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, China.
  • Akbarian D; Pitzer Center for Theoretical Chemistry, Department of Chemistry, University of California, Berkeley, California 94720, United States.
  • Evangelisti B; Chemical Sciences Division, Lawrence Berkeley National LaboratoryBerkeley, California 94720, United States.
  • Hossain MJ; Department of Mechanical Engineering, Chemical Engineering, Engineering Science and Mechanics, Chemistry, Materials Science and Engineering, Penn State University, 240 Research East, University Park, Pennsylvania 16802, United States.
  • Islam MM; Department of Mechanical Engineering, Chemical Engineering, Engineering Science and Mechanics, Chemistry, Materials Science and Engineering, Penn State University, 240 Research East, University Park, Pennsylvania 16802, United States.
  • Koski JP; Department of Mechanical Engineering, Chemical Engineering, Engineering Science and Mechanics, Chemistry, Materials Science and Engineering, Penn State University, 240 Research East, University Park, Pennsylvania 16802, United States.
  • Moore S; Department of Mechanical Engineering, Chemical Engineering, Engineering Science and Mechanics, Chemistry, Materials Science and Engineering, Penn State University, 240 Research East, University Park, Pennsylvania 16802, United States.
  • Aktulga HM; Department of Mechanical Engineering, Wayne State University, Detroit, Michigan 48202, United States.
  • van Duin ACT; Sandia National Laboratories, Albuquerque, New Mexico 87185-1315, United States.
  • Head-Gordon T; Sandia National Laboratories, Albuquerque, New Mexico 87185-1315, United States.
J Chem Theory Comput ; 17(6): 3237-3251, 2021 Jun 08.
Article em En | MEDLINE | ID: mdl-33970642
Texto completo
Adicionar na Minha BVS
Imprimir
XML
PubMed Links
Buscar no Google

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Chem Theory Comput Ano de publicação: 2021 Tipo de documento: Article País de afiliação: Estados Unidos País de publicação: Estados Unidos
Texto completo
Adicionar na Minha BVS
Imprimir
XML
PubMed Links
Buscar no Google

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Chem Theory Comput Ano de publicação: 2021 Tipo de documento: Article País de afiliação: Estados Unidos País de publicação: Estados Unidos