GENERALIZED-ENSEMBLE MONTE-CARLO METHOD FOR SYSTEMS WITH ROUGH ENERGYLANDSCAPE

Authors
HANSMANN UHE OKAMOTO Y
Citation
Uhe. Hansmann et Y. Okamoto, GENERALIZED-ENSEMBLE MONTE-CARLO METHOD FOR SYSTEMS WITH ROUGH ENERGYLANDSCAPE, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics, 56(2), 1997, pp. 2228-2233
Citations number
22
Categorie Soggetti
Physycs, Mathematical","Phsycs, Fluid & Plasmas
Journal title
Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics → ACNP
ISSN journal
1063651X
Volume
56
Issue
2
Year of publication
1997
Pages
2228 - 2233
Database
ISI
SICI code
1063-651X(1997)56:2<2228:GMMFSW>2.0.ZU;2-T
Abstract
We present a Monte Carlo algorithm which enhances equilibrization of l ow-temperature simulations and allows sampling of configurations over a large range of energies. The method is based on a non-Boltzmann prob ability weight factor and is another version of the so-called generali zed-ensemble techniques. The effectiveness of the approach is demonstr ated for the system of a small peptide, an example of the frustrated s ystem with a rugged energy landscape.