The progress of experimental techniques at the nanoscale in the last decade made optical
measurements in current-carrying nanojunctions a reality, thus indicating the emergence of …

We present a brief pedagogical review of theoretical Green's function methods applicable to
open quantum systems out of equilibrium, in general, and single molecule junctions, in …

In this paper, we provide a detailed description of the inchworm Monte Carlo formalism for
the exact study of real-time non-adiabatic dynamics. This method optimally recycles Monte …

We investigate a model for a Mott insulator in the presence of a time-periodic modulated
interaction and a coupling to a thermal reservoir. The combination of drive and dissipation …

Dynamics at molecule–metal interfaces are a subject of intense current interest and come in
many different flavors of experiments: gas-phase scattering, chemisorption, electrochemistry …

A new scheme is proposed for modeling molecular nonadiabatic dynamics near metal
surfaces. The charge-transfer character of such dynamics is exploited to construct an …

We discuss a semiclassical approach to solve the quantum impurity model within
nonequilibrium dynamical mean-field theory for electron-lattice models. The effect of …

For a molecule moving near a single metal surface at equilibrium, following von Oppen and
coworkers [N. Bode, SV Kusminskiy, R. Egger, and F. von Oppen, Beilstein J. Nanotechnol …

Recent successes in Monte Carlo methods for simulating fermionic quantum impurity
models have been based on diagrammatic resummation techniques, but they are restricted …

In a recent publication [W. Dou, Phys. Rev. Lett. 119, 046001 (2017) PRLTAO 0031-9007
10.1103/PhysRevLett. 119.046001], using the quantum-classical Liouville equation (QCLE) …