Open AccessEquilibration and analysis of first-principles molecular dynamics simulations of water
Author(s) -
William Harbutt Dawson,
François Gygi
Publication year - 2018
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.5018116
Subject(s) - molecular dynamics , statistical physics , diffusion , variance (accounting) , variance reduction , thermal diffusivity , computer science , thermodynamics , physics , mathematics , chemistry , statistics , monte carlo method , computational chemistry , accounting , business
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