Generalized-ensemble Monte carlo method for systems with rough energy landscape
Condensed Matter
2009-10-30 v1 Chemical Physics
Abstract
We present a novel Monte Carlo algorithm which enhances equilibrization of low-temperature simulations and allows sampling of configurations over a large range of energies. The method is based on a non-Boltzmann probability weight factor and is another version of the so-called generalized-ensemble techniques. The effectiveness of the new approach is demonstrated for the system of a small peptide, an example of the frustrated system with a rugged energy landscape.
Cite
@article{arxiv.cond-mat/9710306,
title = {Generalized-ensemble Monte carlo method for systems with rough energy landscape},
author = {Ulrich H. E. Hansmann and Yuko Okamoto},
journal= {arXiv preprint arXiv:cond-mat/9710306},
year = {2009}
}
Comments
Latex; ps-files included