Related papers: Numerical simulation of organic semiconductor devi…
Disordered systems have grown in importance in the past decades, with similar phenomena manifesting themselves in many different physical systems. Because of the difficulty of the topic, theoretical progress has mostly emerged from…
The development of numerical methods capable of simulating realistic materials with strongly correlated electrons, with controllable errors, is a central challenge in quantum many-body physics. Here we describe how a hybrid between…
Ion transport, often described by the Poisson--Nernst--Planck (PNP) equations, is ubiquitous in electrochemical devices and many biological processes of significance. In this work, we develop conservative, positivity-preserving, energy…
For linear transport and radiative heat transfer equations with random inputs, we develop new generalized polynomial chaos based Asymptotic-Preserving stochastic Galerkin schemes that allow efficient computation for the problems that…
We present a comprehensive investigation into disorder-mediated charge transport in InP nanowires in the statistical doping regime. At zero gate voltage transport is well described by the space charge limited current model and…
We present a closed description of the charge carrier injection process from a conductor into an insulator. Common injection models are based on single electron descriptions, being problematic especially once the amount of charge-carriers…
In this work, we theoretically and numerically discuss the time fractional subdiffusion-normal transport equation, which depicts a crossover from sub-diffusion (as $t\rightarrow 0$) to normal diffusion (as $t\rightarrow \infty$). Firstly,…
For driven Markovian dynamics on a network of (biomolecular) states, the generalized mobilities, i.e., the response of any current to changes in an external parameter, are expressed by an integral over an appropriate current-current…
The Poisson-Nernst-Planck (PNP) equations are one of the most effective model for describing electrostatic interactions and diffusion processes in ion solution systems, and have been widely used in the numerical simulations of biological…
The construction of quantum computer simulators requires advanced software which can capture the most significant characteristics of the quantum behavior and quantum states of qubits in such systems. Additionally, one needs to provide valid…
We present a new semi-empirical model for calculating electron transport in atomic-scale devices. The model is an extension of the Extended H\"uckel method with a self-consistent Hartree potential. This potential models the effect of an…
We use a generalized Master equation (GME) formalism to describe the non-equilibrium time-dependent transport through a short quantum wire connected to semi-infinite biased leads. The contact strength between the leads and the wire are…
This work deals with uncertainty quantification for a generic input distribution to some resource-intensive simulation, e.g., requiring the solution of a partial differential equation. While efficient numerical methods exist to compute…
Generalized Dorokhov-Mello-Pereyra-Kumar (GDMPK) equation [K. A. Muttalib and J. R. Klauder, Phys. Rev. Lett. {\bf 82}, 4272 (1999)] has been proposed for the description of the electron transport in strongly localized systems. We develop…
Modeling the electronic and optical properties of organic semiconductors remains a challenge for theory, despite the remarkable progress achieved in the last three decades. The complexity of these systems, including structural (dis)order…
In this paper, a study is presented on the charge transport in n-type doped semiconductor 6H-SiC (in both transient and steady state) using a nonequilibrium quantum kinetic theory derived from the method of nonequilibrium statistical…
We present an explicit method for simulating stochastic differential equations (SDEs) that have variable diffusion coefficients and satisfy the detailed balance condition with respect to a known equilibrium density. In Tupper and Yang…
The robust, scalable simulation of flowing electrochemical systems is increasingly important due to the synergy between intermittent renewable energy and electrochemical technologies such as energy storage and chemical manufacturing. The…
In conductor-insulator composites in which the conducting particles are dispersed in an insulating continuous matrix the electrical connectedness is established by interparticle quantum tunneling. A recent formulation of the transport…
We consider an arbitrarily charged polymer driven by a weak field through a gel according to the rules of the Rubinstein-Duke model. The probability distribution in the stationary state is related to that of the model in which only the head…