Related papers: High-order finite element method for atomic struct…
To achieve efficient and accurate long-time integration, we propose a fast, accurate, and stable high-order numerical method for solving fractional-in-space reaction-diffusion equations. The proposed method is explicit in nature and…
The Dirac equation is solved using three-dimensional Finite Difference-Time Domain (FDTD) method. $Zitterbewegung$ and the dynamics of a well-localized electron are used as examples of FDTD application to the case of free electrons.
We propose a matrix-free solver for the numerical solution of the cardiac electrophysiology model consisting of the monodomain nonlinear reaction-diffusion equation coupled with a system of ordinary differential equations for the ionic…
This article is part-I of a review of density-functional theory (DFT) that is the most widely used method for calculating electronic structure of materials. The accuracy and ease of numerical implementation of DFT methods has resulted in…
An operator-splitting finite element scheme for the time-dependent, high-dimensional radiative transfer equation is presented in this paper. The streamline upwind Petrov-Galerkin finite element method and discontinuous Galerkin finite…
Finite element method (FEM) suffers from a serious mesh distortion problem when used for high velocity impact analyses. The smooth particle hydrodynamics (SPH) method is appropriate for this class of problems involving severe damages but at…
Orbital-free (OF) methods promise significant speed-up of computations based on density functional theory (DFT). In this field, the development of accurate kinetic-energy density functionals remains an open question. In this chapter we…
We discuss our new implementation of the Real-space Electronic Structure method for studying the atomic and electronic structure of infinite periodic as well as finite systems, based on density functional theory. This improved version which…
This paper presents the convergence analysis of the spatial finite difference method (FDM) for the stochastic Cahn--Hilliard equation with Lipschitz nonlinearity and multiplicative noise. Based on fine estimates of the discrete Green…
A nonlinear Helmholtz equation (NLH) with high wave number and Sommerfeld radiation condition is approximated by the perfectly matched layer (PML) technique and then discretized by the linear finite element method (FEM).…
This paper presents a matrix-free approach for implementing the shifted boundary method (SBM) in finite element analysis. The SBM is a versatile technique for solving partial differential equations on complex geometries by shifting boundary…
Since the 1960's the finite element method emerged as a powerful tool for the numerical simulation of countless physical phenomena or processes in applied sciences. One of the reasons for this undeniable success is the great versatility of…
A previously developed quantum reduced-order model is revised and applied, together with the domain decomposition, to develop the quantum element method (QEM), a methodology for fast and accurate simulation of quantum eigenvalue problems.…
We consider the design of structure-preserving discretization methods for the solution of systems of boundary controlled Partial Differential Equations (PDEs) thanks to the port-Hamiltonian formalism. We first provide a novel general…
Viable non-perturbative methods for lattice quantum field theories on curved manifolds are difficult. By adapting features from the traditional finite element methods (FEM) and Regge Calculus, a new simplicial lattice Quantum Finite Element…
For a reaction-dominated diffusion problem we study a primal and a dual hybrid finite element method where weak continuity conditions are enforced by Lagrange multipliers. Uniform robustness of the discrete methods is achieved by enriching…
The electron states in axially symmetric quantum wires are computed by means of the effective-mass Schroedinger equation, which is written in cylindrical coordinates phi, rho, and z. We show that a direct discretization of the Schroedinger…
In this paper, we introduce a new finite element method for solving the Stokes equations in the primary velocity-pressure formulation. This method employs $H(div)$ finite elements to approximate velocity, which leads to two unique…
This paper proposes a finite element scheme, based on the Scalar Auxiliary Variable (SAV) approach, for the Cahn-Hilliard equation--a model that possesses significant physical relevance and a rich mathematical structure. A convergence…
We introduce a novel spectral element method based on the ultraspherical spectral method and the hierarchical Poincar\'{e}-Steklov scheme for solving second-order linear partial differential equations on polygonal domains with unstructured…