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 …

Nonadiabatic transition dynamics lies at the core of many electron/hole transfer,
photoactivated, and vacuum field-coupled processes. About a century after Ehrenfest …

Amber is the collective name for a suite of programs that allow users to carry out molecular
dynamics simulations, particularly on biomolecules. None of the individual programs carries …

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 show that a single change in the derivation of the linearized semiclassical-initial value
representation (LSC-IVR or “classical Wigner approximation”) results in a classical dynamics …

Some coherence effects in chemical dynamics are described correctly by classical
mechanics, while others only appear in a quantum treatment—and when these are …

The approximate quantum mechanical ring polymer molecular dynamics (RPMD) and
linearized semiclassical initial value representation (LSC-IVR) methods are compared and …

We report recent progress on the phase space formulation of quantum mechanics with
coordinate‐momentum variables, focusing more on new theory of (weighted) constraint …

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 …

The semiclassical instanton expression for the tunneling splitting between two symmetric
wells is rederived, starting from the ring-polymer representation of the quantum partition …