Forward flux sampling for rare event simulations

Rosalind J. Allen, Chantal Valeriani, Pieter Rein ten Wolde

Research output: Contribution to journalLiterature reviewpeer-review

Abstract / Description of output

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.

Original languageEnglish
Article number463102
Pages (from-to)-
Number of pages21
JournalJournal of Physics: Condensed Matter
Volume21
Issue number46
DOIs
Publication statusPublished - 18 Nov 2009

Keywords / Materials (for Non-textual outputs)

  • LENNARD-JONES FLUID
  • RATE CONSTANTS
  • MONTE-CARLO
  • MOLECULAR-DYNAMICS
  • CRYSTAL NUCLEATION
  • TRANSITION PATHS
  • ESCAPE PROBLEM
  • ISOMERIZATION
  • ROBUSTNESS
  • SWITCHES

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