Umbrella sampling for nonequilibrium processes

doi:10.1063/1.2784118

2007-10-18

132

PRE

Aryeh Warmflash

Prabhakar Bhimalapuram

Aaron R. Dinner *

DOI：10.1063/1.2784118

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The authors introduce an algorithm for determining the steady- state probability distribution of an ergodic system arbitrarily far from equilibrium. By enforcing equal sampling of different regions of phase space, as in umbrella sampling simulations of systems at equilibrium, low probability regions are explored to a much greater extent than in physically weighted simulations. The algorithm can be used to accumulate joint statistics for an arbitrary number of order parameters for a system governed by any stochastic dynamics. They demonstrate the efficiency of the algorithm by applying it to a model of a genetic toggle switch which evolves irreversibly according to a continuous time Monte Carlo procedure. (C) 2007 American Institute of Physics. [DOI: 10.1063/ 1.2784118]

Keyword:

FREE-ENERGY

期刊

Journal of Chemical Physics

IF:

3.1

论文数:

7.2W

被引数:

23.2W

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