MFEM: A modular finite element methods library

R Anderson, J Andrej, A Barker, J Bramwell… - … & Mathematics with …, 2021 - Elsevier
MFEM is an open-source, lightweight, flexible and scalable C++ library for modular finite
element methods that features arbitrary high-order finite element meshes and spaces …

ELSI—An open infrastructure for electronic structure solvers

VW Yu, C Campos, W Dawson, A García… - Computer Physics …, 2020 - Elsevier
Routine applications of electronic structure theory to molecules and periodic systems need
to compute the electron density from given Hamiltonian and, in case of non-orthogonal basis …

A Parallel Algorithm for Computing Partial Spectral Factorizations of Matrix Pencils via Chebyshev Approximation

T Xu, A Austin, V Kalantzis, Y Saad - SIAM Journal on Scientific Computing, 2024 - SIAM
We propose a distributed-memory parallel algorithm for computing some of the algebraically
smallest eigenvalues (and corresponding eigenvectors) of a large, sparse, real symmetric …

Scalable computation of anisotropic vibrations for large macromolecular assemblies

JH Lam, A Nakano, V Katritch - Nature Communications, 2024 - nature.com
Abstract The Normal Mode Analysis (NMA) is a standard approach to elucidate the
anisotropic vibrations of macromolecules at their folded states, where low-frequency …

Efficient parallel implementations of sparse triangular solves for GPU architectures

R Li, C Zhang - Proceedings of the 2020 SIAM Conference on Parallel …, 2020 - SIAM
The sparse triangular matrix solve (SpTrSV) is an important computation kernel that is
demanded by a variety of numerical methods such as the Gauss-Seidel iterations. However …

[图书][B] A Journey through the History of Numerical Linear Algebra

C Brezinski, G Meurant, M Redivo-Zaglia - 2022 - SIAM
A Journey through the History of Numerical Linear Algebra: Back Matter Page 1 Bibliography
[1] A. Abdelfattah, H. Anzt, A. Bouteiller, A. Danalis, JJ Dongarra, M. Gates, A. Haidar, J. Kurzak …

Analysis of stochastic Lanczos quadrature for spectrum approximation

T Chen, T Trogdon, S Ubaru - International Conference on …, 2021 - proceedings.mlr.press
The cumulative empirical spectral measure (CESM) $\Phi [\mathbf {A}]:\mathbb {R}\to [0, 1] $
of a $ n\times n $ symmetric matrix $\mathbf {A} $ is defined as the fraction of eigenvalues of …

Sublinear time spectral density estimation

V Braverman, A Krishnan, C Musco - … of the 54th Annual ACM SIGACT …, 2022 - dl.acm.org
We present a new sublinear time algorithm for approximating the spectral density
(eigenvalue distribution) of an n× n normalized graph adjacency or Laplacian matrix. The …

A novel algebraic multigrid approach based on adaptive smoothing and prolongation for ill-conditioned systems

VA Paludetto Magri, A Franceschini, C Janna - SIAM Journal on Scientific …, 2019 - SIAM
The numerical simulation of modern engineering problems can easily incorporate millions or
even billions of unknowns. In several applications, sparse linear systems with symmetric …

Limited‐memory polynomial methods for large‐scale matrix functions

S Güttel, D Kressner, K Lund - GAMM‐Mitteilungen, 2020 - Wiley Online Library
Matrix functions are a central topic of linear algebra, and problems requiring their numerical
approximation appear increasingly often in scientific computing. We review various limited …