Sparse approximate matrix-matrix multiplication for density matrix purification with error control
type: Item
instance of: scholarly article
title: Sparse approximate matrix-matrix multiplication for density matrix purification with error control
author: Anton G. Artemov
author: Emanuel H. Rubensson
published in: Journal of Computational Physics
publication date: 2022-04-11T00:00:00Z
full work available at URL: https://arxiv.org/abs/2005.10680
Mathematics Subject Classification ID: 65Fxx
Mathematics Subject Classification ID: 81Vxx
Mathematics Subject Classification ID: 65Yxx
zbMATH DE Number: 7505950
zbMATH Keywords: electronic structure calculations
zbMATH Keywords: density matrix methods
zbMATH Keywords: error control
zbMATH Keywords: sparse matrices
describes a project that uses: Ergo
describes a project that uses: SpAMM
MaRDI profile type: Publication
OpenAlex ID: W3081915641
Wikidata QID: Q114163460
cites work: An Optimized Sparse Approximate Matrix Multiply for Matrices with Decay
cites work: Parallel sparse matrix multiplication for linear scaling electronic structure calculations
cites work: A general parallel sparse-blocked matrix multiply for linear scaling SCF theory
cites work: Massively parallel sparse matrix function calculations with NTPoly
cites work: Linear-scaling density-functional theory with tens of thousands of atoms: expanding the scope and scale of calculations with ONETEP
cites work: Interior eigenvalues from density matrix expansions in quantum mechanical molecular dynamics
DOI: 10.1016/J.JCP.2021.110354
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description: scientific article; zbMATH DE number 7505950