A CONFIGURATION BIAS MONTE-CARLO METHOD FOR IONIC-SOLUTIONS

Authors
SHELLEY JC PATEY GN
Citation
Jc. Shelley et Gn. Patey, A CONFIGURATION BIAS MONTE-CARLO METHOD FOR IONIC-SOLUTIONS, The Journal of chemical physics, 100(11), 1994, pp. 8265-8270
Citations number
25
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
The Journal of chemical physics → ACNP
ISSN journal
00219606
Volume
100
Issue
11
Year of publication
1994
Pages
8265 - 8270
Database
ISI
SICI code
0021-9606(1994)100:11<8265:ACBMMF>2.0.ZU;2-M
Abstract
A version of configuration bias Monte Carlo suitable for the insertion and deletion of ions in grand canonical Monte Carlo simulations of io nic solutions has been developed. The method has been optimized and ap plied to a system where the straightforward insertion and deletion of ions is prohibitively impractical. The present approach is likely to b e useful in other systems as well.