Investigating Rare Events by Transition Interface Sampling

TL;DR

This paper reviews simulation methods for rare event transitions, focusing on Transition Interface Sampling, which calculates rate constants via fluxes through dividing interfaces.

Contribution

It introduces Transition Interface Sampling as a novel approach to efficiently compute rare transition rates by focusing on fluxes through interfaces.

Findings

Transition Interface Sampling effectively estimates rare event rates.

The method simplifies the computation of transition rates.

It provides a practical framework for rare event simulation.

Abstract

We briefly review simulation schemes for the investigation of rare transitions and we resume the recently introduced Transition Interface Sampling, a method in which the computation of rate constants is recast into the computation of fluxes through interfaces dividing the reactant and product state.