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We present an efficient computational approach to perform real-space electronic structure calculations using an adaptive higher-order finite-element discretization of Kohn-Sham density-functional theory (DFT). To this end, we develop an…

Computational Physics · Physics 2015-06-05 Phani Motamarri , Michael R Nowak , Kenneth Leiter , Jaroslaw Knap , Vikram Gavini

We propose two easy-to-implement fast algorithms based on moment-matching to compute the nonlocal potential $\varphi(\textbf{x})=(U\ast \rho)(\textbf{x})$ on bounded domain, where the kernel $U$ is singular at the origin and the density…

Numerical Analysis · Mathematics 2026-02-16 Xin Liu , Qinglin Tang , Yong Zhang

In the present work, we investigate the computational efficiency afforded by higher-order finite-element discretization of the saddle-point formulation of orbital-free density functional theory. We first investigate the robustness of viable…

Computational Physics · Physics 2015-05-30 Phani Motamarri , Mrinal Iyer , Jaroslaw Knap , Vikram Gavini

We consider a two-dimensional singularly perturbed transmission problem with two different diffusion coefficients, in a domain with smooth (analytic) boundary. The solution will contain boundary layers only in the part of the domain where…

Analysis of PDEs · Mathematics 2011-04-06 Serge Nicaise , Xenophontos Christos

The eXtended Finite Element Method (XFEM) is an approach for solving problems with non-smooth solutions. In the XFEM, the approximate solution is locally enriched to capture discontinuities without requiring a mesh which conforms to the…

Numerical Analysis · Mathematics 2013-12-23 Christapher Lang , David Makhija , Alireza Doostan , Kurt Maute

In this article, the piecewise-linear finite element method (FEM) is applied to approximate the solution of time-fractional diffusion equations on bounded convex domains. Standard energy arguments do not provide satisfactory results for…

Numerical Analysis · Mathematics 2018-11-06 Samir Karaa , Kassem Mustapha , Amiya K. Pani

In this paper, we discuss how to efficiently evaluate and assemble general finite element variational forms on H(div) and H(curl). The proposed strategy relies on a decomposition of the element tensor into a precomputable reference tensor…

Numerical Analysis · Mathematics 2012-05-15 Marie Rognes , Robert C. Kirby , Anders Logg

We introduce a preconditioner based on a hierarchical low-rank compression scheme of Schur complements. The construction is inspired by standard nested dissection, and relies on the assumption that the Schur complements can be approximated,…

Numerical Analysis · Mathematics 2015-09-01 Paolo Gatto , Jan S. Hesthaven

We consider the approximation of the inverse of the finite element stiffness matrix in the data sparse $\mathcal{H}$-matrix format. For a large class of shape regular but possibly non-uniform meshes including graded meshes, we prove that…

Numerical Analysis · Mathematics 2024-07-25 Niklas Angleitner , Markus Faustmann , Jens Markus Melenk

In order to simulate elastic wave propagation in a complex structure with inhomogeneous media, we often need to obtain the propagating eigenmodes of an elastic waveguide. As the waveguide is assumed uniform in one direction, the original…

Computational Physics · Physics 2021-08-18 An Qi Ge , Ming Wei Zhuang , Jie Liu , Qing Huo Liu

We present the numerical analysis of a finite element method (FEM) for one-dimensional Dirichlet problems involving the logarithmic Laplacian (the pseudo-differential operator that appears as a first-order expansion of the fractional…

Numerical Analysis · Mathematics 2025-05-21 Víctor Hernández-Santamaría , Sven Jarohs , Alberto Saldaña , Leonard Sinsch

In this paper we show that we can use a modified version of the h-p spectral element method proposed in \cite{duttora1,duttom,duttora2,tomarth} to solve elliptic problems with general boundary conditions to exponential accuracy on polygonal…

Numerical Analysis · Mathematics 2007-07-17 P K Dutt , N Kishore Kumar , C S Upadhyay

We present memory-efficient and scalable algorithms for kernel methods used in machine learning. Using hierarchical matrix approximations for the kernel matrix the memory requirements, the number of floating point operations, and the…

Machine Learning · Computer Science 2018-03-29 Elizaveta Rebrova , Gustavo Chavez , Yang Liu , Pieter Ghysels , Xiaoye Sherry Li

A nonlinear Helmholtz (NLH) equation with high frequencies and corner singularities is discretized by the linear finite element method (FEM). After deriving some wave-number-explicit stability estimates and the singularity decomposition for…

Numerical Analysis · Mathematics 2024-05-28 Run Jiang , Haijun Wu , Yifeng Xu , Jun Zou

This work presents a matrix-free finite element solver for finite-strain elasticity adopting an $hp$-multigrid preconditioner. Compared to classical algorithms relying on a global sparse matrix, matrix-free solution strategies significantly…

Computational Engineering, Finance, and Science · Computer Science 2024-12-09 Richard Schussnig , Niklas Fehn , Peter Munch , Martin Kronbichler

In this work, we develop a localized numerical scheme with low regularity requirements for solving time-fractional integro-differential equations. First, a fully discrete numerical scheme is constructed. Specifically, for temporal…

Numerical Analysis · Mathematics 2025-12-02 Lijing Zhao , Rui Zhao , Wenyi Tian , Yufeng Nie

We present a new parallel spectral element solver, FNPF-SEM, for simulating linear and fully nonlinear potential flow-based water waves and their interaction with offshore structures. The tool is designed as a general-purpose wave model for…

Numerical Analysis · Mathematics 2025-06-12 Jens Visbech , Anders Melander , Allan Peter Engsig-Karup

We present the first rigorous convergence analysis of the smoothed adaptive finite element method (S-AFEM) proposed in [Mulita, Giani, Heltai: SIAM J. Sci. Comput. 43, 2021]. S-AFEM modifies the classical adaptive finite element method…

Numerical Analysis · Mathematics 2026-01-29 Philipp Bringmann , Christoph Lietz , Dirk Praetorius

The so-called matrix-element method (MEM) has long been used successfully as a classification tool in particle physics searches. In the presence of invisible final state particles, the traditional MEM typically assigns probabilities to an…

High Energy Physics - Phenomenology · Physics 2019-08-26 Stefan von Buddenbrock , Olivier Mattelaer , Michael Spannowsky

Motivated by problems where the response is needed at select localized regions in a large computational domain, we devise a novel finite element discretization that results in exponential convergence at pre-selected points. The two key…

Numerical Analysis · Mathematics 2016-08-03 Murthy N. Guddati , Vladimir Druskin , Ali Vaziri Astaneh
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