Computing stationary distributions in equilibrium and non-equilibrium systems with Forward Flux Sampling

Autor: Valeriani, Chantal, Allen, Rosalind J., Morelli, Marco J., Frenkel, Daan, Wolde, Pieter Rein ten
Rok vydání: 2009
Předmět:
Zdroj: J. Chem. Phys. 127, 114109 (2007)
Druh dokumentu: Working Paper
DOI: 10.1063/1.2767625
Popis: We present a method for computing stationary distributions for activated processes in equilibrium and non-equilibrium systems using Forward Flux Sampling (FFS). 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 non-equilibrium rare event problem proposed by Maier and Stein, to nucleation in a 2-dimensional Ising system, and to the flipping of a genetic switch.
Databáze: arXiv