Work

Forward flux sampling for rare event simulations

Year: 2009

Type: article

Abstract: 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.

Source: Journal of Physics Condensed Matter

DOI: 10.1088/0953-8984/21/46/463102

Authors: Rosalind J Allen, Chantal Valeriani, Pieter Rein ten Wolde

Institutions: University of Edinburgh, Institute for Atomic and Molecular Physics

Language: English

Topic: Advanced Physical and Chemical Molecular Interactions

Subfield: Physical and Theoretical Chemistry

Field: Chemistry

Domain: Physical Sciences

Open Access status: bronze

Funders: European Commission, Stichting voor Fundamenteel Onderzoek der Materie, Nederlandse Organisatie voor Wetenschappelijk Onderzoek, Engineering and Physical Sciences Research Council

Award: G6003687828