Related papers: Generalized FDTD Scheme for Moving Electromagnetic…
Over many years, computational simulations based on Density Functional Theory (DFT) have been used extensively to study many different materials at the atomic scale. However, its application is restricted by system size, leaving a number of…
Embedded density functional theory (e-DFT) is used to describe the electronic structure of strongly interacting molecular subsystems. We present a general implementation of the Exact Embedding (EE) method [J. Chem. Phys. 133, 084103 (2010)]…
We introduce the Frustrated Distance Matrix (FDM) model, a dynamic extension of the static distance-matrix ensemble on S^2 analyzed by Bogomolny, Bohigas, and Schmit (BBS). Its entries are pairwise geodesic distances between N Brownian…
In this paper, we construct integrable self-adaptive moving mesh schemes for multi-component modified short pulse and short pulse equations under general boundary conditions including periodic boundary conditions by using the consistency…
Electromagnetic scattering and absorption by material particles is a fundamental physical problem with a broad range of applications, going from laboratory experiments, biology and material sciences, all the way up to environmental studies…
Applications of metallic metamaterials have generated significant interest in recent years. Electromagnetic behavior of metamaterials in the optical range is usually characterized by a local-linear response. In this article, we develop a…
The calculation of electronic properties of materials is an important task of solid state theory, albeit particularly difficult if electronic correlations are strong, for example in transition metals, their oxides and in f-electron systems.…
Since numerical computing with MATLAB offers a wide variety of advantages, such as easier developing and debugging of computational codes rather than lower-level languages, the popularity of this tool is significantly increased in the past…
This paper presents a detailed evaluation of the envelope-tracking adaptive integral method (ET-AIM), an FFT-accelerated algorithm for analyzing electromagnetic scattering. ET-AIM is used to solve progressively more complex benchmark…
The Debye-Falkenhagen differential equation is commonly used as a mean-field macroscopic model for describing electrochemical ionic drift and diffusion in dilute binary electrolytes when subjected to a suddenly applied potential smaller…
The computational efficiency of the Finite-Difference Time-Domain (FDTD) method can be significantly reduced by the presence of complex objects with fine features. Small geometrical details impose a fine mesh and a reduced time step,…
Time dependent quantum systems are the subject of intense inquiry, in mathematics, science, and engineering, particularly at the atomic and molecular levels. In 1984, Runge and Gross introduced time dependent density functional theory…
When using Laguerre and Hermite spectral methods to numerically solve PDEs in unbounded domains, the number of collocation points assigned inside the region of interest is often insufficient, particularly when the region is expanded or…
We propose a new fast method of measuring distances between large numbers of related high dimensional datasets called the Diffusion Earth Mover's Distance (EMD). We model the datasets as distributions supported on common data graph that is…
The superior ability of nanostructures to manipulate light has propelled extensive applications in nano-electromagnetic components and devices. Computational electromagnetics plays a critical role in characterizing and optimizing the…
A novel 3-D higher-order finite-difference time-domain framework with complex frequency-shifted perfectly matched layer for the modeling of wave propagation in cold plasma is presented. Second- and fourth-order spatial approximations are…
In this paper, we present an improved framework of the spectral-based Discrete Dislocation Dynamics (DDD) approach introduced in [1,2], that establishes a direct connection with the continuum Field Dislocation Mechanics (FDM) approach. To…
The finite-difference time-domain (FDTD) method is a flexible and powerful technique for rigorously solving Maxwell's equations. However, three-dimensional optical nonlinearity in current commercial and research FDTD softwares requires…
We propose a novel finite-difference time-domain (FDTD) scheme for the solution of the Maxwell's equations in which linear dispersive effects are present. The method uses high-order accurate approximations in space and time for the…
The timestep of the Finite-Difference Time-Domain method (FDTD) is constrained by the stability limit known as the Courant-Friedrichs-Lewy (CFL) condition. This limit can make FDTD simulations quite time consuming for structures containing…