Forward Flux Sampling-type schemes for simulating rare events: Efficiency analysis

Details Forward Flux Sampling-type schemes for simulating rare events: Efficiency analysis Forward Flux Sampling-type schemes for simulating rare events: Efficiency analysis

2006-02-10

arxiv.org/abs/cond-mat/0602269v1

Physics

Condensed Matter

Other Condensed Matter

19 pages, 13 figures

Scientific paper

10.1063/1.2198827

We analyse the efficiency of several simulation methods which we have recently proposed for calculating rate constants for rare events in stochastic dynamical systems, in or out of equilibrium. We derive analytical expressions for the computational cost of using these methods, and for the statistical error in the final estimate of the rate constant, for a given computational cost. These expressions can be used to determine which method to use for a given problem, to optimize the choice of parameters, and to evaluate the significance of the results obtained. We apply the expressions to the two-dimensional non-equilibrium rare event problem proposed by Maier and Stein. For this problem, our analysis gives accurate quantitative predictions for the computational efficiency of the three methods.

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