DOI: 10.1063/1.2767625. Computing stationary distributions in equilibrium and nonequilibrium systems with forward flux sampling

Computing stationary distributions in equilibrium and nonequilibrium systems with forward flux sampling

10.1063/1.2767625

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

We present a method for computing stationary distributions for activated processes in equilibrium and nonequilibrium systems using forward flux sampling. In this method, the stationary distributions are obtained directly from the rate constant calculations for the forward and backward reactions; there is no need to perform separate calculations for the stationary distribution and the rate constant. We apply the method to the nonequilibrium rare event problem proposed by Maier and Stein, to nucleation in a 2-dimensional Ising system, and to the flipping of a genetic switch.

Bibliography

Valeriani, C., Allen, R. J., Morelli, M. J., Frenkel, D., & Rein ten Wolde, P. (2007). Computing stationary distributions in equilibrium and nonequilibrium systems with forward flux sampling. The Journal of Chemical Physics, 127(11).

Authors 5

Chantal Valeriani (first)
Rosalind J. Allen (additional)
Marco J. Morelli (additional)
Daan Frenkel (additional)
Pieter Rein ten Wolde (additional)

References 35 Referenced 97

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{'volume-title': 'Computer Simulation of Liquids', 'year': '1987', 'key': '2023063020355957700_c23'} / Computer Simulation of Liquids (1987)
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{'key': '2023063020355957700_c27'}
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{'volume-title': 'Crystal Nucleation in Liquids and Glasses, Vol. 45', 'year': '1991', 'author': 'Ehrenreich', 'key': '2023063020355957700_c30'} / Crystal Nucleation in Liquids and Glasses, Vol. 45 by Ehrenreich (1991)
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{'volume-title': 'Understanding Molecular Simulation. From Algorithms to Applications', 'year': '2002', 'key': '2023063020355957700_c33'} / Understanding Molecular Simulation. From Algorithms to Applications (2002)
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Dates

Type	When
Created	17 years, 11 months ago (Sept. 21, 2007, 6:02 p.m.)
Deposited	2 years, 1 month ago (June 30, 2023, 4:36 p.m.)
Indexed	3 weeks, 3 days ago (July 30, 2025, 6:49 a.m.)
Issued	17 years, 11 months ago (Sept. 21, 2007)
Published	17 years, 11 months ago (Sept. 21, 2007)
Published Online	17 years, 11 months ago (Sept. 21, 2007)
Published Print	17 years, 11 months ago (Sept. 21, 2007)

Funders 0

None

BibTeX

@article{Valeriani_2007, title={Computing stationary distributions in equilibrium and nonequilibrium systems with forward flux sampling}, volume={127}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.2767625}, DOI={10.1063/1.2767625}, number={11}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Valeriani, Chantal and Allen, Rosalind J. and Morelli, Marco J. and Frenkel, Daan and Rein ten Wolde, Pieter}, year={2007}, month=sep }

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