Related papers: Numerical simulation of organic semiconductor devi…
Organic dopants are frequently used to surface-dope inorganic semiconductors. The resulted hybrid inorganic-organic materials have a crucial role in advanced functional materials and semiconductor devices. In this article, we study charge…
From scaling arguments and numerical simulations, we investigate the properties of the generalized elastic model (GEM), that is used to describe various physical systems such as polymers, membranes, single-file systems, or rough interfaces.…
We propose an efficient numerical algorithm to solve Bogoliubov de Gennes equations self-consistently for inhomogeneous superconducting systems with a reformulated polynomial expansion scheme. This proposed method is applied to typical…
We develop a new general algorithm for finding a regular tight-binding lattice Hamiltonian in infinite dimensions for an arbitrary given shape of the density of states (DOS). The availability of such an algorithm is essential for the…
We give a unified proof for the well-posedness of a class of linear half-space equations with general incoming data and construct a Galerkin method to numerically resolve this type of equations in a systematic way. Our main strategy in both…
An integral equation method is presented for the 1D steady-state Poisson-Nernst-Planck equations modeling ion transport through membrane channels. The differential equations are recast as integral equations using Green's 3rd identity…
We design a numerical scheme for transport equations with oscillatory periodic scattering coefficients. The scheme is asymptotic preserving in the diffusion limit as Knudsen number goes to zero. It also captures the homogenization limit as…
We discuss the mathematical modeling and numerical discretization of transport problems on one-dimensional networks. Suitable coupling conditions are derived that guarantee conservation of mass across network junctions and dissipation of a…
The influence of substitutional disorder on the transport properties of heavy-fermion systems is investigated. We extend the dynamical mean-field theory treatment of the periodic Anderson model (PAM) to a coherent-potential approximation…
We propose a highly-scalable method to compute the statistics of charge transfer in driven conductors. The framework can be applied in situations of non-zero temperature, strong coupling to terminals and in the presence of non-periodic…
We calculate the optical and DC conductivity for half-filled disordered Hubbard model near the Mott metal-insulator transition. As in the clean case, large metallic resistivity is driven by a strong inelastic scattering, and Drude-like peak…
Charge transport in disordered organic semiconductors occurs by hopping of charge carriers between localized sites that are randomly distributed in a strongly energy dependent density of states. Extracting disorder and hopping parameters…
We develop a theory for the maximum achievable mobility in modulation-doped 2D GaAs-AlGaAs semiconductor structures by considering the momentum scattering of the 2D carriers by the remote ionized dopants which must invariably be present in…
We perform a numerical approximation of coherent sets in finite-dimensional smooth dynamical systems by computing singular vectors of the transfer operator for a stochastically perturbed flow. This operator is obtained by solution of a…
The electrochemical doping transformation in organic semiconductor devices is studied in application to light-emitting cells. It is shown that the device performance can be significantly improved by utilizing new fundamental properties of…
We present a novel approach to the simulation of miscible displacement by employing adaptive enriched Galerkin finite element methods (EG) coupled with entropy residual stabilization for transport. In particular, numerical simulations of…
In this work, we consider the discretization of nonlinear hyperbolic systems in nonconservative form with the high-order discontinuous Galerkin spectral element method (DGSEM) based on collocation of quadrature and interpolation points…
We develop an iterative framework for Bayesian inference problems where the posterior distribution may involve computationally intensive models, intractable gradients, significant posterior concentration, and pronounced non-Gaussianity. Our…
Despite its numerical challenges, finite element method is used to compute viscous fluid flow. A consensus on the cause of numerical problems has been reached; however, general algorithms---allowing a robust and accurate simulation for any…
We discuss the validity of generalized Debye-H\"uckel (GDH) equation proposed by Fisher {\itshape et al.} from the functional integral point of view. The GDH theory considers fluctuations around prescribed densities of positive and negative…