相关论文: Nonequilibrium isolated molecule limit
A finite element solution coupled with an interior penalty discontinuous Galerkin solution are defined for the approximation of the coupled 3D-1D solute transport problem. Under sufficient regularity for the weak solutions, optimal error…
We investigate soliton collisions in the Manakov model, which is a system of coupled nonlinear Schroedinger equations that is integrable via the inverse scattering method. Computing the asymptotic forms of the general N-soliton solution in…
We study the problem of calculating transport properties of interacting quantum systems, specifically electrical and thermal conductivities, by computing the non-equilibrium steady state (NESS) of the system biased by contacts. Our approach…
We calculate the nonlinear cotunneling conductance through interacting quantum dot systems in the deep Coulomb blockade regime using a rate equation approach based on the T-matrix formalism, which shows in the concerned regions very good…
The sensitivity of anomalous transport in crowded media to the form of the inter-particle interactions is investigated through computer simulations. We extend the highly simplified Lorentz model towards realistic natural systems by modeling…
In this paper, the authors study the limit of a sharp interface model for the solvation of charged molecules in an implicit solvent as the number of solute molecules and the size of the surrounding box tend to infinity. The energy is given…
We present a cluster-based density-functional approach to model charge transport through molecular and atomic contacts. The electronic structure of the contacts is determined in the framework of density functional theory, and the parameters…
A real-time path integral Monte Carlo approach is developed to study the dynamics in a many-body quantum system until reaching a nonequilibrium stationary state. The approach is based on augmenting an exact reduced equation for the…
Generalizing response theory of open systems far from equilibrium is a central quest of nonequilibrium statistical physics. Using stochastic thermodynamics, we develop an algebraic method to study the response of nonequilibrium steady state…
We propose cotunneling as the microscopic mechanism that makes possible inelastic electron spectroscopy of magnetic atoms in surfaces for a wide range of systems, including single magnetic adatoms, molecules and molecular stacks. We…
The relaxation dynamics of correlated electron transport (ET) along molecular chains is studied based on a substantially improved numerically exact path integral Monte Carlo (PIMC) approach. As archetypical model we consider a Hubbard chain…
In the study of quantum transport, much has been known for dynamics near thermal equilibrium. However, quantum transport far away from equilibrium is much less well understood--the linear response approximation does not hold for physics…
We discuss recent findings about properties of quantum nonequilibrium steady states. In particular we focus on transport properties. It is shown that the time dependent density matrix renormalization method can be used successfully to find…
We study dynamic nonequilibrium electron charging phenomena in ballistic molecular devices at room temperature that compromise their response to bias and whose nature is evidently distinguishable from static Schottky-type potential…
In this paper we consider stabilised finite element methods for hyperbolic transport equations without coercivity. Abstract conditions for the convergence of the methods are introduced and these conditions are shown to hold for three…
The role of multimode vibrational dynamics in electron transport through single molecule junctions is investigated. The study is based on a generic model, which describes charge transport through a single molecule that is attached to metal…
We present a first numerical investigation of the accuracy of the recently proposed {\em non-classical transport equation}. This equation contains an extra independent variable (the path-length $s$), and models particle transport taking…
It is shown that the transport in low temperature, collisional, bounded plasma is enhanced by instabilities at high magnetic field. While the magnetic field confines the electrons in a stable plasma, the instability completely destroys the…
We introduce a unified framework for analyzing Markov dynamics by linking nonequilibrium thermodynamics with information geometry. Using the symmetrized Kullback-Leibler divergence, we reveal an intrinsic Minkowski structure in the…
A fluid model is developed for multicomponent two-temperature magnetized plasmas in chemical non-equilibrium from the partially- to fully-ionized collisional regimes. We focus on transport phenomena aiming at representing the chromosphere…