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QMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion quantum Monte Carlo.
Kent, P R C; Annaberdiyev, Abdulgani; Benali, Anouar; Bennett, M Chandler; Landinez Borda, Edgar Josué; Doak, Peter; Hao, Hongxia; Jordan, Kenneth D; Krogel, Jaron T; Kylänpää, Ilkka; Lee, Joonho; Luo, Ye; Malone, Fionn D; Melton, Cody A; Mitas, Lubos; Morales, Miguel A; Neuscamman, Eric; Reboredo, Fernando A; Rubenstein, Brenda; Saritas, Kayahan; Upadhyay, Shiv; Wang, Guangming; Zhang, Shuai; Zhao, Luning.
Afiliação
  • Kent PRC; Center for Nanophase Materials Sciences Division and Computational Sciences and Engineering Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA.
  • Annaberdiyev A; Department of Physics, North Carolina State University, Raleigh, North Carolina 27695-8202, USA.
  • Benali A; Computational Science Division, Argonne National Laboratory, 9700 S. Cass Avenue, Lemont, Illinois 60439, USA.
  • Bennett MC; Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA.
  • Landinez Borda EJ; Quantum Simulations Group, Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, California 94551, USA.
  • Doak P; Center for Nanophase Materials Sciences Division and Computational Sciences and Engineering Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA.
  • Hao H; Department of Chemistry, University of California, Berkeley, California 94720, USA.
  • Jordan KD; Department of Chemistry, University of Pittsburgh, Pittsburgh, Pennsylvania 15260, USA.
  • Krogel JT; Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA.
  • Kylänpää I; Computational Physics Laboratory, Tampere University, P.O. Box 692, 33014 Tampere, Finland.
  • Lee J; Department of Chemistry, Columbia University, New York, New York 10027, USA.
  • Luo Y; Computational Science Division, Argonne National Laboratory, 9700 S. Cass Avenue, Lemont, Illinois 60439, USA.
  • Malone FD; Quantum Simulations Group, Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, California 94551, USA.
  • Melton CA; Sandia National Laboratories, Albuquerque, New Mexico 87123, USA.
  • Mitas L; Department of Physics, North Carolina State University, Raleigh, North Carolina 27695-8202, USA.
  • Morales MA; Quantum Simulations Group, Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, California 94551, USA.
  • Neuscamman E; Department of Chemistry, University of California, Berkeley, California 94720, USA.
  • Reboredo FA; Department of Chemistry, University of Pittsburgh, Pittsburgh, Pennsylvania 15260, USA.
  • Rubenstein B; Department of Chemistry, Brown University, Providence, Rhode Island 02912, USA.
  • Saritas K; Department of Applied Physics, Yale University, New Haven, Connecticut 06520, USA.
  • Upadhyay S; Department of Chemistry, University of Pittsburgh, Pittsburgh, Pennsylvania 15260, USA.
  • Wang G; Department of Physics, North Carolina State University, Raleigh, North Carolina 27695-8202, USA.
  • Zhang S; Laboratory for Laser Energetics, University of Rochester, 250 E River Rd., Rochester, New York 14623, USA.
  • Zhao L; Department of Chemistry, University of Washington, Seattle, Washington 98195, USA.
J Chem Phys ; 152(17): 174105, 2020 May 07.
Article em En | MEDLINE | ID: mdl-32384844
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Texto completo: 1 Base de dados: MEDLINE Idioma: En Revista: J Chem Phys Ano de publicação: 2020 Tipo de documento: Article País de afiliação: Estados Unidos
Texto completo
Imprimir
XML
PubMed Links
Buscar no Google

Texto completo: 1 Base de dados: MEDLINE Idioma: En Revista: J Chem Phys Ano de publicação: 2020 Tipo de documento: Article País de afiliação: Estados Unidos