E. Curotto et al., A J-WALKING ALGORITHM FOR MICROCANONICAL SIMULATIONS - APPLICATIONS TO LENNARD-JONES CLUSTERS, The Journal of chemical physics, 109(5), 1998, pp. 1643-1647
The j-walking method, previously developed to solve quasiergodicity pr
oblems in canonical simulations, is extended to simulations in the mic
rocanonical ensemble. The implementation of the method in the microcan
onical ensemble parallels that in the canonical case. Applications are
presented in the microcanonical ensemble to cluster melting phenomena
for Lennard-Jones clusters containing 7 and 13 particles. Significant
difficulties are encountered in achieving ergodicity when Metropolis
Monte Carlo methods are applied to these systems, and the difficulties
are removed by the j-walking method. (C) 1998 American Institute of P
hysics.