Reducing quasi-ergodicity in Monte Carlo simulations of the plastic phase of the cyanoadamantane crystal Original Research Article

Monte Carlo simulations of the plastic phase of cyanoadamantane crystal have been analyzed from the point view of a quasi-ergodic behavior. A quantitative measure of non-ergodicity has been introduced. It has been shown that it is possible to decrease non-ergodicity of simulations using a preferential sampling instead of the conventional Metropolis algorithm.