Electronic transport properties of single-molecule junctions have been widely measured by
several techniques, including mechanically controllable break junctions, electromigration …

Molecular dynamics (MD) simulation based on Langevin equation has been widely used in
the study of structural, thermal properties of matter in different phases. Normally, the atomic …

Electronic friction is a correction to the Born-Oppenheimer approximation, whereby nuclei in
motion experience a drag in the presence of a manifold of electronic states. The notion of …

We examine the many open questions that arise for nonadiabatic dynamics in the presence
of degenerate electronic states, eg, for singlet-to-triplet intersystem crossing where a …

Though the concept of Berry force was proposed thirty years ago, little is known about the
practical consequences of this force as far as chemical dynamics are concerned. Here, we …

We present a universal expression for the electronic friction as felt by a set of classical
nuclear degrees of freedom (DOFs) coupled to a manifold of quantum electronic DOFs; no …

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 …

We present a consistent thermodynamic theory for the resonant level model in the wide-
band limit, whose level energy is driven slowly by an external force. The problem of defining …

We present a general unified approach for the study of quantum thermal machines,
including both heat engines and refrigerators, operating under periodic adiabatic driving …

We derive and employ a semiclassical Langevin equation obtained from path integrals to
describe the ionic dynamics of a molecular junction in the presence of electrical current. The …