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 …

Quantum‐classical formulations of reactive flux correlation functions require the partial Weyl–
Wigner transform of the thermalized flux operator, whose numerical evaluation is unstable …

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

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

Predicting how a material's microscopic structure and dynamics determine its transport
properties remains a fundamental challenge. To alleviate this task's often prohibitive …

A new semiclassical “divide-and-conquer” method is presented with the aim of
demonstrating that quantum dynamics simulations of high dimensional molecular systems …

Including quantum mechanical effects on the dynamics of nuclei in the condensed phase is
challenging, because the complexity of exact methods grows exponentially with the number …

To compute and analyze vibrationally resolved electronic spectra at zero temperature, we
have recently implemented the on-the-fly ab initio extended thawed Gaussian approximation …

We have used the ring polymer molecular dynamics method to study the Azzouz–Borgis
model for proton transfer between phenol (AH) and trimethylamine (B) in liquid methyl …