Monte Carlo simulations in generalized ensemble: Multicanonical algorithm versus simulated tempering
- 1 November 1996
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review E
- Vol. 54 (5) , 5863-5865
- https://doi.org/10.1103/physreve.54.5863
Abstract
It is shown that two Monte Carlo methods in generalized ensemble, multicanonical algorithm and simulated tempering, are closely related. The equivalence and effectiveness of the two methods are illustrated by taking an energy function for the protein folding problem as an example. © 1996 The American Physical Society.Keywords
This publication has 18 references indexed in Scilit:
- Sampling Ground-State Configurations of a Peptide by Multicanonical AnnealingJournal of the Physics Society Japan, 1994
- Simulated-tempering procedure for spin-glass simulationsPhysical Review E, 1994
- Prediction of peptide conformation by multicanonical algorithm: New approach to the multiple‐minima problemJournal of Computational Chemistry, 1993
- Method for accelerating chain folding and mixingThe Journal of Chemical Physics, 1993
- New approach to spin-glass simulationsPhysical Review Letters, 1992
- THE MULTICANONICAL ENSEMBLE: A NEW APPROACH TO COMPUTER SIMULATIONSInternational Journal of Modern Physics C, 1992
- Simulated Tempering: A New Monte Carlo SchemeEurophysics Letters, 1992
- New approach to Monte Carlo calculation of the free energy: Method of expanded ensemblesThe Journal of Chemical Physics, 1992
- Multicanonical ensemble: A new approach to simulate first-order phase transitionsPhysical Review Letters, 1992
- Multicanonical algorithms for first order phase transitionsPhysics Letters B, 1991