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

Proton transfer reactions involving transition metal hydride complexes are prevalent in a
number of catalytic fuel-forming reactions, where the proton transfer kinetics to or from the …

Coherence refers to correlations in waves. Because matter has a wave-particle nature, it is
unsurprising that coherence has deep connections with the most contemporary issues in …

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 …

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 …

We theoretically demonstrate that the chemical reaction rate constant can be significantly
suppressed by coupling molecular vibrations with an optical cavity, exhibiting both the …

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 …

The properties of water play a central role in many phenomena of relevance to different
areas of science, including physics, chemistry, biology, geology, and climate research …

The ring polymer molecular dynamics (RPMD) and partially adiabatic centroid molecular
dynamics (PA-CMD) methods are compared and contrasted in an application to the infrared …

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 …