Efficient multiparticle sampling in Monte Carlo simulations on fluids: application to polarizable models.
A novel Monte Carlo simulation scheme based on biased simultaneous displacements of all particles of the system has been developed. The method is particularly suited for systems with nonadditive interactions and its efficiency is demonstrated by its implementation for the polarizable Stockmayer fluid. Performance of the method is compared with both the standard one-particle move method and an unbiased multiparticle scheme by computing the mean squared displacements, rotation relaxation, and the speed of equilibration (translational order parameter). It is shown that the proposed biased method is about a factor of 10 faster, for the system considered, when compared with the other schemes.
Moucka
Filip
F
Faculty of Science, J. E. Purkinje University, 400 96 Ustí nad Labem, Czech Republic.
Rouha
Michael
M
Nezbeda
Ivo
I