Related papers: Numerical simulation of organic semiconductor devi…
The nature of the interplay between fluctuations and quenched random disorder is a long-standing open problem, particularly in systems with a continuous order parameter. This lack of a full theoretical treatment has been underscored by…
In this paper, we investigate finite-horizon optimal density steering problems for discrete-time stochastic linear dynamical systems whose state probability densities can be represented as Gaussian Mixture Models (GMMs). Our goal is to…
Starting from Brenier's relaxed formulation of the incompressible Euler equation in terms of geodesics in the group of measure-preserving diffeomorphisms, we propose a numerical method based on Sinkhorn's algorithm for the entropic…
The iterative perturbation theory of the dynamical mean field theory is generalized to arbitrary electron occupation in case of multi-orbital Hubbard bands. We present numerical results of doubly degenerate Eg bands in a simple cubic…
We study the convergence and the stability of fictitious dynamical methods for electrons. First, we show that a particular damped second-order dynamics has a much faster rate of convergence to the ground-state than first-order steepest…
We demonstrate the relevance of an algorithm called generalized iterative scaling (GIS) or simultaneous multiplicative algebraic reconstruction technique (SMART) and its rescaled block-iterative version (RBI-SMART) in the field of optimal…
The scattering approach to quantum transport through a disordered quasi-one-dimensional conductor in the insulating regime is discussed in terms of its transfer matrix $\bbox{T}$. A model of $N$ one-dimensional wires which are coupled by…
The calculation of the conductance of disordered rings requires a theory that goes beyond the Kubo-Drude formulation. Assuming "mesoscopic" circumstances the analysis of the electro-driven transitions show similarities with a percolation…
We propose a method to systematically control carrier densities at the interface of transition-metal oxide heterostructures without introducing disorders. By inserting non-polar layers sandwiched by polar layers, continuous carrier doping…
We study a classical integrable (Neumann) model describing the motion of a particle on the sphere, subject to harmonic forces. We tackle the problem in the infinite dimensional limit by introducing a soft version in which the spherical…
We present a numerically stable re-formulization of the transfer matrix method (TMM). The iteration form of the traditional TMM is transformed into solving a set of linear equations. Our method gains the new ability of calculating accurate…
In some applications there arises the need of a spatially distributed description of a physical quantity inside a device coupled to a circuit. Then, the in-space discretised system of partial differential equations is coupled to the system…
In this work we propose a weighted hybridizable discontinuous Galerkin method (W-HDG) for drift-diffusion problems. By using specific exponential weights when computing the $L^2$ product in each cell of the discretization, we are able to…
Integrable systems offer rare examples of solvable many-body problems in the quantum world. Due to the fine-tuned structure, their realization in nature and experiment is never completely accurate, therefore effects of integrability are…
A fourth-order Schr\"{o}dinger equation for the description of charge transport in semiconductors in the ballistic regime is proposed with the inclusion of non-parabolic effects in the dispersion relation in order to go beyond the simple…
Solid-state ionic conduction is a key enabler of electrochemical energy storage and conversion. The mechanistic connections between material processing, defect chemistry, transport dynamics, and practical performance are of considerable…
We propose a new concept for the regularization and discretization of transfer and Koopman operators in dynamical systems. Our approach is based on the entropically regularized optimal transport between two probability measures. In…
The parabolic-elliptic Keller-Segel equation with sensitivity saturation, because of its pattern formation ability, is a challenge for numerical simulations. We provide two finite-volume schemes whose goals are to preserve, at the discrete…
We consider the iterative solution of anisotropic radiative transfer problems using residual minimization over suitable subspaces. We show convergence of the resulting iteration using Hilbert space norms, which allows us to obtain…
A minimal requirement for simulating multi-scale systems is to reproduce the statistical behavior of the slow variables. In particular, a good numerical method should accurately aproximate the probability density function of the…