This article reviews the ring-polymer molecular dynamics model for condensed-phase
quantum dynamics. This model, which involves classical evolution in an extended ring …

Imaginary-time path-integral or 'ring-polymer'methods have been used to simulate quantum
(Boltzmann) statistical properties since the 1980s. This article reviews the more recent …

Two of the most successful methods that are presently available for simulating the quantum
dynamics of condensed phase systems are centroid molecular dynamics (CMD) and ring …

This Perspective presents a personal overview of the current status of the theory of chemical
kinetics and mechanisms for complex processes. We attempt to assess the status of the field …

We demonstrate that the ring-polymer molecular dynamics (RPMD) method is equivalent to
an automated and approximate implementation of the “Im F” version of semiclassical …

This Feature Article presents an overview of the current status of ring polymer molecular
dynamics (RPMD) rate theory. We first analyze the RPMD approach and its connection to …

In a recent paper, we have developed an efficient implementation of the ring polymer
molecular dynamics (RPMD) method for calculating bimolecular chemical reaction rates in …

A ring polymer molecular dynamics (RPMD) method is proposed for the calculation of the
dissociative chemisorption rate coefficient on surfaces. The RPMD rate theory is capable of …

We propose a ring polymer molecular dynamics method for the calculation of chemical rate
constants that incorporates nonadiabatic effects by the surface-hopping approach. Two …

Surprisingly, there exists a quantum flux-side time-correlation function which has a non-zero
t→ 0+ limit and thus yields a rigorous quantum generalization of classical transition-state …