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A CONFIGURATION BIAS MONTE-CARLO METHOD FOR IONIC-SOLUTIONS

TitleA CONFIGURATION BIAS MONTE-CARLO METHOD FOR IONIC-SOLUTIONS
Publication TypeJournal Article
Year of Publication1994
AuthorsShelley, JC, Patey, GN
JournalJournal of Chemical Physics
Volume100
Pagination8265-8270
Date PublishedJun
Type of ArticleArticle
ISBN Number0021-9606
KeywordsCHAIN MOLECULES, DIPOLAR LIQUIDS
Abstract

A version of configuration bias Monte Carlo suitable for the insertion and deletion of ions in grand canonical Monte Carlo simulations of ionic solutions has been developed. The method has been optimized and applied to a system where the straightforward insertion and deletion of ions is prohibitively impractical. The present approach is likely to be useful in other systems as well.

URL<Go to ISI>://A1994NN73100044