Related papers: Atomistic modeling of dynamical quantum transport
Quantum transport in a one-dimensional (1D) quasiperiodic lattice with mobility edges is explored. We first investigate the adiabatic pumping between left and right edge modes by resorting to two edge-bulk-edge channels and demonstrate that…
We aim at quantitatively determining transport parameters like conductivity, mean free path, etc., for simple models of spatially completely disordered quantum systems, comparable to the systems which are sometimes referred to as Lifshitz…
We investigate the time-dependent, coherent, and dissipative dynamics of bound particles in single multilevel quantum dots in the presence of sequential tunnelling transport. We focus on the nonequilibrium regime where several channels are…
Integrable and non-integrable systems have very different transport properties. In this work, we highlight these differences for specific one dimensional models of interacting lattice fermions using numerical exact diagonalization. We…
The traditional transmission coefficient present in the original Landauer formulation, which is valid for quasi-static scenarios with working frequencies below the inverse of the electron transit time, is substituted by a novel…
We investigate the transport through a few-level quantum system described by a Markovian master equation with temperature- and particle-density dependent chemical potentials. From the corresponding Onsager relations we extract linear…
We present a new approach to carry out non-adiabatic molecular dynamics to study the carrier mobility in an organic monolayer. This approach allows the calculation of a 4802 atom system for 825 fs in about three hours using 51,744 computer…
We present quantum electron transport theory that incorporates dynamical effects of motion of atoms on electrode-molecule interfaces in the calculations of the electric current. The theory is based on non-equilibrium Green's functions. We…
We present a quantum-kinetic scheme for the calculation of non-equilibrium transport properties in nanoscale systems. The approach is based on a Liouville-master equation for a reduced density operator and represents a generalization of the…
We analyze the dynamics of single photon transport in a single-mode waveguide coupled to a micro-optical resonator using a fully quantum mechanical model. We examine the propagation of a single-photon Gaussian packet through the system…
Excitonic transport in static disordered one dimensional systems is studied in the presence of thermal fluctuations that are described by the Haken-Strobl-Reineker model. For short times, non-diffusive behavior is observed that can be…
The quantum transport via a donor (D)-bridge (B)-acceptor (A) single molecule is studied using density functional theory in conjunction with the Landauer-B\"{u}ttiker formalism. Asymmetric electrical response for opposite biases is observed…
Electron transfer is an important and fundamental process in chemistry, biology and physics, and has received significant attention in recent years. Perhaps one of the most intriguing questions concerns with the realization of the…
We investigate the time an electronic excitation travels in a supermolecular setup using a measurement process in an open quantum-system framework. The approach is based on the stochastic Schr\"odinger equation and uses a Hamiltonian from…
Using methods of kinetic theory and liquid state theory we propose a description of the non-equilibrium behavior of molecular fluids which takes into account their microscopic structure and thermodynamic properties. The present work…
We derive the transport properties of a quantum dot subject to a source-drain bias voltage at zero temperature and magnetic field. Using the Scattering Bethe Anstaz, a generalization of the traditional Thermodynamic Bethe Ansatz to open…
We show that by integrating out the electric field and incorporating proper boundary conditions, a semiclassical Boltzmann equation can describe electron transport properties, continuously from the diffusive to ballistic regimes. General…
Routine investigations of plasmonic phenomena at the quantum level present a formidable computational challenge due to the large system sizes and ultrafast timescales involved. This Feature Article highlights the use of density functional…
We study the combined effects of electron-phonon coupling and dot-lead repulsion in the transport properties of the Anderson-Holstein model. We employ a recently proposed nonperturbative method to calculate the transient response of the…
Based on density functional theory (DFT), we have developed algorithms and a program code to investigate the electron transport characteristics for a variety of nanometer scaled devices in the presence of an external bias voltage. We…