Related papers: Describing non-Hermitian dynamics using a Generali…
Simulations of interacting electrons and bosons out of equilibrium, starting from first principles and aiming at realistic multiscale scenarios, is a grand theoretical challenge. Here, using the formalism of nonequilibrium Green's functions…
Due to their small size and unique properties, single-molecule electronics have long seen research interest from experimentalists and theoreticians alike. From a theoretical standpoint, modeling these systems using electronic structure…
Non-equilibrium Green's function theory for non-adiabatic effects in quantum transport [Kershaw and Kosov, J.Chem. Phys. 2017, 147, 224109 and J. Chem. Phys. 2018, 149, 044121] is extended to the case of interacting electrons. We consider a…
The quantum dynamics of fermionic or bosonic many-body systems following external excitation can be successfully studied using two-time nonequilibrium Green's functions (NEGF) or single-time reduced density matrix methods. Approximations…
We study the dynamics of a transmon qubit that is capacitively coupled to an open multimode superconducting resonator. Our effective equations are derived by eliminating resonator degrees of freedom while encoding their effect in the…
Density functional theory (DFT) combined with non-equilibrium Greens functions (NEGF) is a powerful approach to model quantum transport under external bias potentials, at reasonable computational cost. In this work we present a new…
Electrical conduction through a two-terminal molecular device is studied using non-equilibrium Green's functions (NEGF) formalism. Such junction is made of a short linear wire which is connected to the metallic electrodes. Molecule itself…
We report on the dynamical formation of exceptional degeneracies in basic correlation functions of non-integrable one- and two-dimensional systems quenched to the vicinity of a critical point. Remarkably, fine-tuned semi-metallic points in…
The HF-GKBA offers an approximate numerical procedure for propagating the two-time non-equilibrium Green's function(NEGF). Here we compare the HF-GKBA to exact results for a variety of systems with long and short-range interactions,…
Due to their structured density of states, molecular junctions provide rich resources to filter and control the flow of electrons and phonons. Here we compute the out of equilibrium current-voltage characteristics and dissipated heat of…
Following a proposal by Aronov and Ioselevich, we express the Green functions (GF) of a noninteracting disordered Fermi system as a functional integral on a real time/frequency lattice. The normalizing denominator of this functional…
We present an application of a new formalism to treat the quantum transport properties of fully interacting nanoscale junctions. We consider a model single-molecule nanojunction in the presence of two kinds of electron-vibron interactions.…
In this colloquia review we discuss methods for thermal transport calculations for nanojunctions connected to two semi-infinite leads served as heat-baths. Our emphases are on fundamental quantum theory and atomistic models. We begin with…
Electron transport through a diatomic molecular tunnel junction shows wave like interference phenomenon. By using Keldysh non-equilibrium Green's function (NEGF) theory, we have explicitly presented current and differential conductance…
Non-Hermitian systems have garnered significant attention due to the emergence of novel topology of complex spectra and skin modes. However, investigating transport phenomena in such systems faces obstacles stemming from the non-unitary…
We describe a method and its implementation for calculating electronic structure and electron transport without approximating the structure using periodic super-cells. This effectively removes spurious periodic images and interference…
Working within the Nonequilibrium Green's Function (NEGF) formalism, a formula for the two-time current correlation function is derived for the case of transport through a nanojunction in response to an arbitrary time-dependent bias. The…
We report the investigation of full-counting statistics (FCS) of transferred charge and spin in the transient regime where the connection between central scattering region (quantum dot) and leads are turned on at $t=0$. A general…
In this work, we present a numerical framework for modeling single photon emission from a two level system in open and dissipative systems beyond the Markovian approximation. The method can be readily integrated into standard computational…
Nonequilibrium charge transport through a trimer molecular transistor composed of three quantum dots arranged in a triangular geometry, which is placed on a substrate, has been studied in the presence of electron electron and electron…