Related papers: A multiscale finite element method for the Schr\"{…
Traditionally, finite differences and finite element methods have been by many regarded as the basic tools for obtaining numerical solutions in a variety of quantum mechanical problems emerging in atomic, nuclear and particle physics,…
We present a multiscale finite element method for a diffusion problem with rough and high contrast coefficients. The construction of the multiscale finite element space is based on the localized orthogonal decomposition methodology and it…
By solving the Schr\"odinger equation one obtains the whole energy spectrum, both the bound and the continuum states. If the Hamiltonian depends on a set of parameters, these could be tuned to a transition from bound to continuum states.…
We present a quasi-linearly scaling, first order polynomial finite element method for the solution of the magnetostatic open boundary problem by splitting the magnetic scalar potential. The potential is determined by solving a Dirichlet…
A homogenization approach is one of effective strategies to solve multiscale elliptic problems approximately. The finite element heterogeneous multiscale method (FEHMM) which is based on the finite element makes possible to simulate such…
Motivated by applications to numerical simulation of flows in highly heterogeneous porous media, we develop multiscale finite element methods for second order elliptic equations. We discuss a multiscale model reduction technique in the…
The purpose of this work is to test the application of the finite element method to quantum mechanical problems, in particular for solving the Schroedinger equation. We begin with an overview of quantum mechanics, and standard numerical…
Computing many eigenpairs of the Schr{\"o}dinger operator presents a computational bottleneck in large-scale quantum simulations due to the global communication overhead of explicit orthogonalization. To address this issue, we propose a…
We consider a finite element method for elliptic equation with heterogeneous and possibly high-contrast coefficients based on primal hybrid formulation. A space decomposition as in FETI and BDCC allows a sequential computations of the…
Solving the time-dependent Schr\"odinger equation is an important application area for quantum algorithms. We consider Schr\"odinger's equation in the semi-classical regime. Here the solutions exhibit strong multiple-scale behavior due to a…
The fourth-order PDE that models the density variation of smectic A liquid crystals presents unique challenges in its (numerical) analysis beyond more common fourth-order operators, such as the classical biharmonic. While the operator is…
A finite element approach for approximating the solution of a mathematical model for the response of a penetrable, bounded object (obstacle) to the excitation by an external electromagnetic field is presented and investigated. The model…
We present a computationally efficient approach to solve the time-dependent Kohn-Sham equations in real-time using higher-order finite-element spatial discretization, applicable to both pseudopotential and all-electron calculations. To this…
This manuscript explores a variational quantum formulation for nonlinear elasticity problems arising from hyperelastic material models, targeting near term noisy intermediate scale quantum (NISQ) devices. The approach leverages the…
Within the hyperspherical framework, the solution of the time-independent Schroedinger equation for a n-particle system is divided into two steps, the solution of a Schroedinger like equation in the hyperangular degrees of freedom and the…
We consider the problem of numerically solving the Schr\"odinger equation with a potential that is quasi periodic in space and time. We introduce a numerical scheme based on a newly developed multi-time scale and averaging technique. We…
The multiscale hybrid-mixed (MHM) method consists of a multi-level strategy to approximate the solution of boundary value problems with heterogeneous coefficients. In this context, we propose a family of low-order finite elements for the…
We consider adaptive finite element methods for solving a multiscale system consisting of a macroscale model comprising a system of reaction-diffusion partial differential equations coupled to a microscale model comprising a system of…
We introduce a finite element method for numerical upscaling of second order elliptic equations with highly heterogeneous coefficients. The method is based on a mixed formulation of the problem and the concepts of the domain decomposition…
A new fully discrete linearized $H^1$-conforming Lagrange finite element method is proposed for solving the two-dimensional magneto-hydrodynamics equations based on a magnetic potential formulation. The proposed method yields numerical…