An open quantum system refers to a system that is further coupled to a bath system
consisting of surrounding radiation fields, atoms, molecules, or proteins. The bath system is …

Hydrogen atom scattering on metal surfaces is investigated based on a simplified Newns–
Anderson model. Both the nuclear and electronic degrees of freedom are treated quantum …

The formalism of the generalized quantum master equation (GQME) is an effective tool to
simultaneously increase the accuracy and the efficiency of quasiclassical trajectory methods …

We present a hierarchical equations of motion approach, which allows a numerically exact
simulation of nonequilibrium transport in general open quantum systems involving multiple …

The study of chemical reactions in environments under nonequilibrium conditions has been
of interest recently in a variety of contexts, including current-induced reactions in molecular …

Mixed quantum-classical (MQC) methods for simulating the dynamics of molecules at metal
surfaces have the potential to accurately and efficiently provide mechanistic insight into …

A model of a bulk water system describing the vibrational motion of intramolecular and
intermolecular modes is constructed, enabling analysis of its linear and nonlinear vibrational …

A recently developed approach to the thermodynamics of open quantum systems, on the
basis of the principle of minimal dissipation, is applied to the spin-boson model. Employing a …

Understanding current-induced bond rupture in single-molecule junctions is both of
fundamental interest and a prerequisite for the design of molecular junctions, which are …

Nonequilibrium quantum transport is of central importance in nanotechnology. Its description
requires the understanding of strong electronic correlations that couple atomic-scale …