We present recent advances in density functional theory (DFT) for applications in the field of
quantum transport, with particular emphasis on transport through strongly correlated …

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 …

The surprising discovery of ultrafast demagnetization—where the electric field of a
femtosecond laser pulse interacts with electrons of a ferromagnetic (FM) layer to cause its …

The conventional Landau-Lifshitz-Gilbert (LLG) equation is a widely used tool to describe
the dynamics of local magnetic moments, viewed as classical vectors of fixed length, with …

We introduce a multiscale framework that combines a time-dependent nonequilibrium Green-
function (TDNEGF) algorithm, scaling linearly in the number of time steps and describing …

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) …

A crucial goal for increasing thermal energy harvesting will be to progress towards atomistic
design strategies for smart nanodevices and nanomaterials. This requires the combination …

It has long been known that quantum particles moving in a periodic lattice and subject to a
constant force field undergo an oscillatory motion that is referred to as Bloch oscillations …

Shift current—a photocurrent induced by light irradiating noncentrosymmetric materials in
the absence of any bias voltage or built-in electric field—is one of the mechanisms of the so …

We investigate electronic transport in graphene nanoelectromechanical systems, known
also as graphene nanodrums or nanomembranes. We demonstrate that these devices …