We present an accelerated algorithm that samples correctly the thermodynamic ensemble in complex systems where the dynamics is controlled by activation barriers. The efficiency of the thermodynamically-weighted activation-relaxation technique (THWART) is many orders of magnitude greater than standard molecular dynamics, even at room temperature and above, in systems as complex as proteins and amorphous silicon.
@article{arxiv.cond-mat/0310422,
title = {Efficient sampling in complex materials at finite temperature: the thermodynamically-weighted activation-relaxation technique},
author = {Normand Mousseau and G. T. Barkema},
journal= {arXiv preprint arXiv:cond-mat/0310422},
year = {2007}
}