Given its central role in utilizing light energy, photoinduced electron transfer (PET) from an
excited molecule has been widely studied,,,,–. However, even though microscopic …

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 …

Over the past few decades, the field of molecular electronics has greatly benefited from
advances in the fundamental understanding of charge transport mechanisms. Molecular …

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 …

Electron transport and optical properties of a single molecule in contact with conductive
materials have attracted considerable attention because of their scientific importance and …

We review one of the most versatile theoretical approaches to the study of time-dependent
correlated quantum transport in nano-systems: the non-equilibrium Green's function (NEGF) …

The time-dependent full counting statistics of charge transport through an interacting
quantum junction is evaluated from its generating function, controllably computed with the …

We present a hierarchical quantum master equation (HQME) approach, which allows the
numerically exact evaluation of higher-order current cumulants in the framework of full …

We present general first-principles derivation of the expression for current-induced forces.
The expression is applicable in nonequilibrium molecular systems with arbitrary …

We use the inchworm quantum Monte Carlo method to investigate the full counting statistics
of particle and energy currents in a strongly correlated quantum dot. Our method is used to …