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This content will become publicly available on April 27, 2019

Title: Structural, electronic, and dynamical properties of liquid water by ab initio molecular dynamics based on SCAN functional within the canonical ensemble

Authors:
ORCiD logo [1] ;  [1] ;  [1] ; ORCiD logo [2] ; ORCiD logo [2] ;  [1] ;  [3]
  1. Department of Physics, Temple University, Philadelphia, Pennsylvania 19122, USA
  2. Department of Chemistry, Princeton University, Princeton, New Jersey 08544, USA
  3. Department of Physics, Temple University, Philadelphia, Pennsylvania 19122, USA, Institute for Computational Molecular Science, Temple University, Philadelphia, Pennsylvania 19122, USA
Publication Date:
Grant/Contract Number:
DEAC0205CH11231; DESC0012575
Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Name: Journal of Chemical Physics Journal Volume: 148 Journal Issue: 16; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1435002