Open AccessCommunication: Predicting virial coefficients and alchemical transformations by extrapolating Mayer-sampling Monte Carlo simulations
Author(s) -
Harold W. Hatch,
Sally Jiao,
Nathan A. Mahynski,
Marco A. Blanco,
Vincent K. Shen
Publication year - 2017
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 - 10.1063/1.5016165
Subject(s) - virial coefficient , extrapolation , monte carlo method , statistical physics , virial expansion , dynamic monte carlo method , monte carlo molecular modeling , exponential function , thermodynamics , physics , mathematics , statistics , mathematical analysis , markov chain monte carlo
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