Related papers: Mori generalized master equations offer an efficie…
An important class of approaches to the description of electronic transport through molecules and quantum dots is based on the master equation. We discuss various formalisms for deriving a master equation and their interrelations. It is…
We derive an exact master equation that captures the dynamics of a quadratic quantum system linearly coupled to a Gaussian environment of the same statistics: the Gaussian Master Equation (GME). Unlike previous approaches, our formulation…
We develop a computational framework, based on the Boltzmann transport equation, with the ability to compute the thermal transport in nanostructured materials of any geometry using as the only input the bulk thermal conductivity…
Quantum transport in disordered systems is studied using a polaron-based master equation. The polaron approach is capable of bridging the results from the coherent band-like transport regime governed by the Redfield equation to incoherent…
Generalized master equations (GMEs) -- time-local but generally neither trace-preserving nor Hermiticity-preserving -- are convenient tools to compute properties of the environment of an open or continuously monitored quantum system. A…
We introduce a systematic approximation for an efficient evaluation of Born--Markov master equations for steady state transport studies in open quantum systems out of equilibrium: the energy resolved master equation approach. The master…
The simulation of quantum transport in a realistic, many-particle system is a nontrivial problem with no quantitatively satisfactory solution. While real-time propagation has the potential to overcome the shortcomings of conventional…
Dissipaton theory had been proposed as an exact and nonperturbative approach to deal with open quantum system dynamics, where the influence of Gaussian environment is characterized by statistical quasi-particles named as dissipatons. In…
Deviations from diffusive heat transport in high thermal conductivity crystalline insulators are generally understood within the framework of the phonon Boltzmann Transport Equation. However, for low thermal conductivity materials with…
Numerically "exact" methods addressing the dynamics of coupled electron--phonon systems have been intensively developed. Nevertheless, the corresponding results for the electron mobility $\mu_\mathrm{dc}$ are scarce, even for the…
We present GPUQT, a quantum transport code fully implemented on graphics processing units. Using this code, one can obtain intrinsic electronic transport properties of large systems described by a real-space tight-binding Hamiltonian…
We discuss methods for numerically solving the generalized Master equation GME which governs the time-evolution of the reduced density matrix of a mechanically movable mesoscopic device in a dissipative environment. As a specific example,…
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 counting statistics for nonequilibrium charge transport in…
Transport properties of the multicomponent quantum many-body systems obeying Haldane's fractional exclusion statistics are studied in one dimension. By computing the finite-size spectrum under twisted boundary conditions, we explicitly…
This paper presents hybrid numerical techniques for solving the Boltzmann transport equation formulated by means of low-order equations for angular moments of the angular flux. The moment equations are derived by the projection operator…
We present a self-contained description of the wave-function matching (WFM) method to calculate electronic quantum transport properties of nanostructures using the Landauer-B\"uttiker approach. The method is based on a partition of the…
Energy transport equations are derived directly from full molecular dynamics models as coarse-grained description. With the local energy chosen as the coarse-grained variables, we apply the Mori-Zwanzig formalism to derive a reduced model,…
QmeQ is an open-source Python package for numerical modeling of transport through quantum dot devices with strong electron-electron interactions using various approximate master equation approaches. The package provides a framework for…
In classical Drude theory the conductivity is determined by the mass of the propagating particles and the mean free path between two scattering events. For a quantum particle this simple picture of diffusive transport loses relevance if…
Numerical simulations of contaminant dispersion, as after a gas leakage incident on a chemical plant, can provide valuable insights for both emergency response and preparedness. Simulation approaches combine incompressible Navier-Stokes…