Repository: Freie Universität Berlin, Math Department

Computing free energy differences using conditioned diffusions

Hartmann, C. and Latorre, J.C. (2011) Computing free energy differences using conditioned diffusions. AIP Conf. Proc., 1332 (1). pp. 218-220.

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Official URL: http://dx.doi.org/10.1063/1.3569505

Abstract

We derive a Crooks-Jarzynski-type identity for computing free energy differences between metastable states that is based on nonequilibrium diffusion processes. Furthermore we outline a brief derivation of an infinite-dimensional stochastic partial differential equation that can be used to efficiently generate the ensemble of trajectories connecting the metastable states.

Item Type:Article
Additional Information:NONEQUILIBRIUM STATISTICAL PHYSICS TODAY: Proceedings of the 11th Granada Seminar on Computational and Statistical Physics La Herradura, (Spain), 13–17 September 2010
Subjects:Mathematical and Computer Sciences > Mathematics > Applied Mathematics
Divisions:Department of Mathematics and Computer Science > Institute of Mathematics > Cellular Mechanics Group
Department of Mathematics and Computer Science > Institute of Mathematics > BioComputing Group
ID Code:989
Deposited By:INVALID USER
Deposited On:10 Nov 2010 11:06
Last Modified:03 Mar 2017 14:40

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