Mapping variable ring polymer molecular dynamics: A path-integral based method for nonadiabatic processes

Ring-Polymer Molecular Dynamics: Quantum Effects in Chemical Dynamics from Classical Trajectories in an Extended Phase Space

(2013) Scott Habershon et al.   Annual Review of Physical Chemistry

Direct simulation of proton-coupled electron transfer across multiple regimes

(2013) Joshua S. Kretchmer et al.   JOURNAL OF CHEMICAL PHYSICS

Derivation of a true (t → 0+) quantum transition-state theory. I. Uniqueness and equivalence to ring-polymer molecular dynamics transition-state-theory

(2013) Timothy J. H. Hele et al.   JOURNAL OF CHEMICAL PHYSICS

Mapping quantum-classical Liouville equation: Projectors and trajectories

(2012) Aaron Kelly et al.   JOURNAL OF CHEMICAL PHYSICS

Direct simulation of electron transfer using ring polymer molecular dynamics: Comparison with semiclassical instanton theory and exact quantum methods

(2011) Artur R. Menzeleev et al.   JOURNAL OF CHEMICAL PHYSICS

Dynamics and dissipation in enzyme catalysis

(2011) N. Boekelheide et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Singlet Fission

(2010) Millicent B. Smith et al.   CHEMICAL REVIEWS

Ring polymer molecular dynamics beyond the linear response regime: Excess electron injection and trapping in liquids

(2010) Artur R. Menzeleev et al.   JOURNAL OF CHEMICAL PHYSICS

Exact quantum statistics for electronically nonadiabatic systems using continuous path variables

(2010) Nandini Ananth et al.   JOURNAL OF CHEMICAL PHYSICS

Iterative linearized density matrix propagation for modeling coherent excitation energy transfer in photosynthetic light harvesting

(2010) P. Huo et al.   JOURNAL OF CHEMICAL PHYSICS

Light-powered molecular devices and machines

(2010) Paola Ceroni et al.   PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES

Competing quantum effects in the dynamics of a flexible water model

(2009) Scott Habershon et al.   JOURNAL OF CHEMICAL PHYSICS

Electronically Nonadiabatic Dynamics via Semiclassical Initial Value Methods

(2009) William H. Miller   JOURNAL OF PHYSICAL CHEMISTRY A

From Biological towards Artificial Molecular Motors

(2008) Moritz Mickler et al.   CHEMPHYSCHEM

Isomorphic classical molecular dynamics model for an excess electron in a supercritical fluid

(2008) Thomas F. Miller   JOURNAL OF CHEMICAL PHYSICS

Quantum diffusion of hydrogen and muonium atoms in liquid water and hexagonal ice

(2008) Thomas E. Markland et al.   JOURNAL OF CHEMICAL PHYSICS