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Improved density of states Monte Carlo method based on recycling of rejected states.

Authors :
Chopra, Manan
De Pablo, J. J.
Source :
Journal of Chemical Physics. 3/21/2006, Vol. 124 Issue 11, p114102. 6p. 1 Diagram, 1 Chart, 2 Graphs.
Publication Year :
2006

Abstract

In this paper a new algorithm is presented that improves the efficiency of Wang and Landau algorithm or density of states (DOS) Monte Carlo simulations by employing rejected states. The algorithm is shown to have a performance superior to that of the original Wang-Landau [F. Wang and D. P. Landau, Phys. Rev. Lett. 86, 2050 (2001)] algorithm and the more recent configurational temperature DOS algorithm. The performance of the method is illustrated in the context of results for the Lennard-Jones fluid. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
00219606
Volume :
124
Issue :
11
Database :
Academic Search Index
Journal :
Journal of Chemical Physics
Publication Type :
Academic Journal
Accession number :
20273702
Full Text :
https://doi.org/10.1063/1.2178319