4.5 Review

Forward flux sampling for rare event simulations

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JOURNAL OF PHYSICS-CONDENSED MATTER
卷 21, 期 46, 页码 -

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IOP PUBLISHING LTD
DOI: 10.1088/0953-8984/21/46/463102

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  1. Royal Society of Edinburgh
  2. Royal Society
  3. EPSRC [EP/E030173]

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Rare events are ubiquitous in many different fields, yet they are notoriously difficult to simulate because few, if any, events are observed in a conventional simulation run. Over the past several decades, specialized simulation methods have been developed to overcome this problem. We review one recently developed class of such methods, known as forward flux sampling. Forward flux sampling uses a series of interfaces between the initial and final states to calculate rate constants and generate transition paths for rare events in equilibrium or nonequilibrium systems with stochastic dynamics. This review draws together a number of recent advances, summarizes several applications of the method and highlights challenges that remain to be overcome.

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