Forward Flux Sampling for rare event simulations

TL;DR

Forward Flux Sampling is a specialized simulation technique that efficiently estimates rare event rates and generates transition paths by using interfaces between initial and final states, applicable to both equilibrium and nonequilibrium stochastic systems.

Contribution

This paper reviews recent advances in Forward Flux Sampling, a method for simulating rare events, and discusses its applications and remaining challenges.

Findings

Effective estimation of rare event rates

Generation of transition paths in complex systems

Applicability to equilibrium and nonequilibrium dynamics

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 conventiona l simulation run. Over the past several decades, specialised 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.