Yuko Okamoto
Published 2003-08-06Version 1
In complex systems such as spin systems and protein systems, conventional simulations in the canonical ensemble will get trapped in states of energy local minima. We employ the generalized-ensemble algorithms in order to overcome this multiple-minima problem. Two well-known generalized-ensemble algorithms, namely, multicanonical algorithm and replica-exchange method, are described. We then present four new generalized-ensemble algorithms as further extensions of the two methods. Effectiveness of the new methods are illustrated with a Potts model, Lennard-Jones fluid system, and protein system.
Comments: 10 pages, (RevTeX), 8 figures, to be published in the Proceedings of the Monte Carlo Method in the Physical Sciences: Celebrating the 50th Anniversary of the Metropolis Algoriths
Temperature scaling in nonequilibrium relaxation in three-dimensional Heisenberg model in the Swendsen-Wang and Metropolis algorithms
Violation of the fluctuation-dissipation theorem in a protein system
Generalized Ensemble and Tempering Simulations: A Unified View
