Non-stationary forward flux sampling

J Chem Phys. 2012 May 7;136(17):174118. doi: 10.1063/1.4704810.

Abstract

We present a method, Non-Stationary Forward Flux Sampling, that allows efficient simulation of rare events in both stationary and non-stationary stochastic systems. The method uses stochastic branching and pruning to achieve uniform sampling of trajectories in phase space and time, leading to accurate estimates for time-dependent switching propensities and time-dependent phase space probability densities. It is suitable for equilibrium or non-equilibrium systems, in or out of stationary state, including non-Markovian or externally driven systems. We demonstrate the validity of the technique by applying it to a one-dimensional barrier crossing problem that can be solved exactly, and show its usefulness by applying it to the time-dependent switching of a genetic toggle switch.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Computer Simulation*
  • Gene Regulatory Networks*
  • Models, Genetic*
  • Models, Statistical
  • Monte Carlo Method
  • Reproducibility of Results
  • Stochastic Processes
  • Thermodynamics