Efficient free energy profile reconstruction using adaptive stochastic perturbation protocols
Statistical Mechanics
2008-01-03 v1
Abstract
Application of Jarzynski nonequilibrium work relation to free energy calculation is limited by the very slow convergence of the estimate when dissipation is high. We present a novel perturbation protocol able to improve the convergence of Jarzynski estimator when it is applied in the reconstruction of the potential of mean force. The improvement is based on the application of the adaptive external work variation in addition to the one caused by thermal fluctuations.
Keywords
Cite
@article{arxiv.0801.0178,
title = {Efficient free energy profile reconstruction using adaptive stochastic perturbation protocols},
author = {Ognjen Perisic and Hui Lu},
journal= {arXiv preprint arXiv:0801.0178},
year = {2008}
}
Comments
LaTeX (revtex4), 4 pages, 4 Postscript figures