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The inverse problem of Kohn-Sham density functional theory (DFT) is often solved in an effort to benchmark and design approximate exchange-correlation potentials. The forward and inverse problems of DFT rely on the same equations but the…

Chemical Physics · Physics 2017-08-02 Daniel Jensen , Adam Wasserman

The pivotal aim of the present work is to demonstrate an efficient analytical technique, called q-homotopy analysis transform method (q-HATM) in order to analyse a fractional model of telegraph equations. Numerical examples are illustrated…

Numerical Analysis · Mathematics 2018-05-11 P. Veeresha , D. G. Prakasha

In this paper, we consider numerical approximation of an electrically conductive ferrofluid model, which consists of Navier-Stokes equations, magnetization equation, and magnetic induction equation. To solve this highly coupled, nonlinear,…

Numerical Analysis · Mathematics 2025-04-02 Jialin Xie , Xiaodi Zhang

We propose a new method to design adaptation algorithms that guarantee a certain prescribed level of performance and are applicable to systems with nonconvex parameterization. The main idea behind the method is, given the desired…

Optimization and Control · Mathematics 2007-05-23 I. Y. Tyukin , D. V. Prokhorov , Cees van Leeuwen

By introducing a set of auxiliary equations representing a many-body system, we have derived an extension of the Kohn-Sham scheme for the density functional theory. These equations consist of a Kohn-Sham-type equation determining…

Materials Science · Physics 2009-11-07 Koichi Kusakabe

In this paper we accomplish the development of the fast rank-adaptive solver for tensor-structured symmetric positive definite linear systems in higher dimensions. In [arXiv:1301.6068] this problem is approached by alternating minimization…

Numerical Analysis · Mathematics 2014-10-07 Sergey V. Dolgov , Dmitry V. Savostyanov

We formulate and analyze a goal-oriented adaptive finite element method for a symmetric linear elliptic partial differential equation (PDE) that can simultaneously deal with multiple linear goal functionals. In each step of the algorithm,…

Numerical Analysis · Mathematics 2026-01-06 Roland Becker , Maximilian Brunner , Paula Hilbert , Michael Innerberger , Dirk Praetorius

We propose an adaptive planewave method for eigenvalue problems in electronic structure calculations. The method combines a priori convergence rates and accurate a posteriori error estimates into an effective way of updating the energy…

Computational Physics · Physics 2021-07-30 Beilei Liu , Huajie Chen , Geneviève Dusson , Jun Fang , Xingyu Gao

This paper proposes a methodology to estimate stress in the subsurface by a hybrid method combining finite element modeling and neural networks. This methodology exploits the idea of obtaining a multi-frequency solution in the numerical…

Machine Learning · Computer Science 2020-08-27 Xavier Garcia , Adrian Rodriguez-Herrera

In this paper, a full (nested) multigrid scheme is proposed to solve eigenvalue problems. The idea here is to use the multilevel correction method to transform the solution of eigenvalue problem to a series of solutions of the corresponding…

Numerical Analysis · Mathematics 2015-06-23 Hehu Xie

We revisit a unified methodology for the iterative solution of nonlinear equations in Hilbert spaces. Our key observation is that the general approach from [Heid & Wihler, Math. Comp. 89 (2020), Calcolo 57 (2020)] satisfies an energy…

Numerical Analysis · Mathematics 2021-02-18 Pascal Heid , Dirk Praetorius , Thomas P. Wihler

While multilevel Monte Carlo (MLMC) methods for the numerical approximation of partial differential equations with random coefficients enjoy great popularity, combinations with spatial adaptivity seem to be rare. We present an adaptive MLMC…

Numerical Analysis · Mathematics 2017-12-20 Ralf Kornhuber , Evgenia Youett

In this paper, we propose a systematic approach for accelerating finite element-type methods by machine learning for the numerical solution of partial differential equations (PDEs). The main idea is to use a neural network to learn the…

Numerical Analysis · Mathematics 2024-10-11 Shukai Du , Samuel N. Stechmann

We develop computational methods for approximating the solution of a linear multi-term matrix equation in low rank. We follow an alternating minimization framework, where the solution is represented as a product of two matrices, and…

Numerical Analysis · Mathematics 2020-06-16 Kookjin Lee , Howard C. Elman , Catherine E. Powell , Dongeun Lee

In this work, we propose an adaptive spectral element algorithm for solving nonlinear optimal control problems. The method employs orthogonal collocation at the shifted Gegenbauer-Gauss points combined with very accurate and stable…

Optimization and Control · Mathematics 2023-03-06 Kareem T. Elgindy

In this paper we prove the optimal convergence of a standard adaptive scheme based on edge finite elements for the approximation of the solutions of the eigenvalue problem associated with Maxwell's equations. The proof uses the known…

Numerical Analysis · Mathematics 2018-04-09 Daniele Boffi , Lucia Gastaldi

We propose and analyze novel adaptive algorithms for the numerical solution of elliptic partial differential equations with parametric uncertainty. Four different marking strategies are employed for refinement of stochastic Galerkin finite…

Numerical Analysis · Mathematics 2019-10-08 Alex Bespalov , Dirk Praetorius , Leonardo Rocchi , Michele Ruggeri

In this work we propose an efficient and accurate multi-scale optical simulation algorithm by applying a numerical version of slowly varying envelope approximation in FEM. Specifically, we employ the fast iterative method to quickly compute…

Optics · Physics 2024-12-03 Fan Xiao , Jingwei Wang , Zhongfei Xiong , Yuntian Chen

We consider an elliptic linear-quadratic parameter estimation problem with a finite number of parameters. A novel a priori bound for the parameter error is proved and, based on this bound, an adaptive finite element method driven by an a…

Numerical Analysis · Mathematics 2022-09-05 Roland Becker , Michael Innerberger , Dirk Praetorius

In this paper, we propose an efficient exponential integrator finite element method for solving a class of semilinear parabolic equations in rectangular domains. The proposed method first performs the spatial discretization of the model…

Numerical Analysis · Mathematics 2022-09-27 Jianguo Huang , Lili Ju , Yuejin Xu