Reducing quasi-ergodicity in a double well potential by Tsallis Monte Carlo simulation

Abstract

A new Monte Carlo scheme based on the system of Tsallis's generalized statistical mechanics is applied to a simple double well potential to calculate the canonical thermal average of potential energy. Although we observed serious quasi-ergodicity when using the standard Metropolis Monte Carlo algorithm, this problem is largely reduced by the use of the new Monte Carlo algorithm. Therefore the ergodicity is guaranteed even for short Monte Carlo steps if we use this new canonical Monte Carlo scheme. PACS: 02.70.Lq; 05.70.-a

Multicanonical jump walk annealing assisted by tabu for dynamic optimization of chemical engineering processes

“…The method chooses the new configuration in the neighborhood of a current solution with unit probability if it has a lower energy and if it has higher energy than the current configuration, it will be accepted based on Boltzmann probability. For application to sophisticated systems with multimodal functionality and high-energy barriers between the potential energy minima in a system, several different modifications of the basic Metropolis MC simulations and simulated annealing have been devised (Beichl and Sullivan, 1999;Berg, 2003;Andricioaei and Straub, 1997;Iwamatsu and Okabe, 2000;Frantz, 2001;Ortiz et al, 2003). Most of these modifications incorporate appropriate changes in the basic acceptance probability function.…”