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The iterative diagonalization of a sequence of large ill-conditioned generalized eigenvalue problems is a computational bottleneck in quantum mechanical methods employing a nonorthogonal basis for {\em ab initio} electronic structure…

材料科学 · 物理学 2013-08-13 Yunfeng Cai , Zhaojun Bai , John E. Pask , N. Sukumar

Many integral equations used to analyze scattering, such as the standard combined field integral equation (CFIE), are not well-conditioned for a wide range of frequencies and multi-scale geometries. There has been significant effort to…

计算物理 · 物理学 2023-08-16 J. A. Hawkins , L. Baumann , H. M. Aktulga , D. Dault , B. Shanker

When numerical solution of elliptic and parabolic partial differential equations is required to be highly accurate in space, the discrete problem usually takes the form of large-scale and sparse linear systems. In this work, as an…

数值分析 · 数学 2024-07-23 Massimo Frittelli , Ivonne Sgura

The relaxed physical factorization (RPF) preconditioner is a recent algorithm allowing for the efficient and robust solution to the block linear systems arising from the three-field displacement-velocity-pressure formulation of coupled…

数值分析 · 数学 2021-08-10 Matteo Frigo , Nicola Castelletto , Massimiliano Ferronato

We present a modified version of the PRESB preconditioner for two-by-two block system of linear equations with the coefficient matrix $$\textbf{A}=\left(\begin{array}{cc} F & -G^* G & F \end{array}\right),$$ where $F\in\mathbb{C}^{n\times…

数值分析 · 数学 2024-05-15 Owe Axelsson , Dovod Khojasteh Slakuyeh

We aim to solve the incompressible Navier-Stokes equations within the complex microstructure of a porous material. Discretizing the equations on a fine grid using a staggered (e.g., marker-and-cell, mixed FEM) scheme results in a nonlinear…

数值分析 · 数学 2025-10-28 Kangan Li , Yashar Mehmani

In this paper, we propose and evaluate the performance of a unified computational framework for preconditioning systems of linear equations resulting from the solution of coupled problems with monolithic schemes. The framework is composed…

数值分析 · 数学 2016-08-24 Francesc Verdugo , Wolfgang A. Wall

In this contribution, a discretisation of the IBC EFIE is introduced that (i) yields the correct solution at arbitrarily small frequencies, (ii) requires for its solution a number of matrix vector products bounded as the frequency tends to…

计算物理 · 物理学 2016-06-27 Alexandre Dely , Francesco P. Andriulli , Kristof Cools

Boundary integral equation methods for analyzing electromagnetic scattering phenomena typically suffer from several of the following problems: (i) ill-conditioning when the frequency is low; (ii) ill-conditioning when the discretization…

The Poisson-Boltzmann equation offers an efficient way to study electrostatics in molecular settings. Its numerical solution with the boundary element method is widely used, as the complicated molecular surface is accurately represented by…

数值分析 · 数学 2021-08-25 Stefan D. Search , Christopher D. Cooper , Elwin van't Wout

The numerical modeling of fracture contact thermo-poromechanics is crucial for advancing subsurface engineering applications, including CO2 sequestration, production of geo-energy resources, energy storage and wastewater disposal…

数值分析 · 数学 2025-10-14 Yury Zabegaev , Inga Berre , Eirik Keilegavlen

We revisit gradient-based optimization for infinite projected entangled pair states (iPEPS), a tensor network ansatz for simulating many-body quantum systems. This approach is hindered by two major challenges: the high computational cost of…

强关联电子 · 物理学 2026-03-09 Xing-Yu Zhang , Qi Yang , Philippe Corboz , Jutho Haegeman , Wei Tang

Predicting effective thermal conductivity by solving a Partial Differential Equation (PDE) defined on a high-resolution Representative Volume Element (RVE) is a computationally intensive task. In this paper, we tackle the task by proposing…

数值分析 · 数学 2024-04-04 Changqing Ye , Shubin Fu , Eric T. Chung

Fast computation of demagnetization curves is essential for the computational design of soft magnetic sensors or permanent magnet materials. We show that a sparse preconditioner for a nonlinear conjugate gradient energy minimizer can lead…

Fast and accurate resolution of electromagnetic problems via the \ac{BEM} is oftentimes challenged by conditioning issues occurring in three distinct regimes: (i) when the frequency decreases and the discretization density remains constant,…

计算物理 · 物理学 2020-04-22 Alexandre Dély , Adrien Merlini , Simon B. Adrian , Francesco P. Andriulli

This paper presents a high-order method for solving an interface problem for the Poisson equation on embedded meshes through a coupled finite element and integral equation approach. The method is capable of handling homogeneous or…

数值分析 · 数学 2018-08-29 Natalie N. Beams , Andreas Klöckner , Luke N. Olson

Among optimal hierarchical algorithms for the computational solution of elliptic problems, the Fast Multipole Method (FMM) stands out for its adaptability to emerging architectures, having high arithmetic intensity, tunable accuracy, and…

数值分析 · 计算机科学 2016-01-20 Huda Ibeid , Rio Yokota , Jennifer Pestana , David Keyes

In this paper, we address the efficient numerical solution of linear and quadratic programming problems, often of large scale. With this aim, we devise an infeasible interior point method, blended with the proximal method of multipliers,…

A combined source integral equation (CSIE) is constructed on the basis of the electric field integral equation (EFIE) to solve electromagnetic radiation and scattering problems containing perfect electrically conducting bodies. It is…

数值分析 · 数学 2022-06-27 Jonas Kornprobst , Thomas F. Eibert

This paper presents a scalable physics-based block preconditioner for mixed-dimensional models in beam-solid interaction and their application in engineering. In particular, it studies the linear systems arising from a regularized…

计算工程、金融与科学 · 计算机科学 2024-08-09 Max Firmbach , Ivo Steinbrecher , Alexander Popp , Matthias Mayr