Variational path sampling of rare dynamical events

TL;DR

This paper reviews variational path sampling methods that enable the study of rare dynamical events far from equilibrium, using trajectory space ensembles and large deviation theory, with applications across various scientific fields.

Contribution

It introduces a comprehensive overview of variational path sampling techniques and their application to complex systems, emphasizing their ability to analyze rare events in nonequilibrium conditions.

Findings

Provides a unified framework for studying rare events in dynamical systems.

Demonstrates applications in chemical, material, and biophysical systems.

Highlights the connection between trajectory ensemble reweighting and large deviation theory.

Abstract

This article reviews the concepts and methods of variational path sampling. These methods allow computational studies of rare events in systems driven arbitrarily far from equilibrium. Based upon a statistical mechanics of trajectory space and leveraging the theory of large deviations, they provide a perspective with which dynamical phenomena can be studied with the same types of ensemble reweighting ideas that have been used for static equilibrium properties. Applications to chemical, material, and biophysical systems are highlighted.