Embedded divide-and-conquer algorithm on hierarchical real-space grids: parallel molecular dynamics simulation based on linear-scaling density functional theory
type: Item
instance of: scholarly article
title: Embedded divide-and-conquer algorithm on hierarchical real-space grids: parallel molecular dynamics simulation based on linear-scaling density functional theory
zbMATH Open document ID: 1196.82030
author: F. Shimojo
author: Rajiv K. Kalia
author: Aiichiro Nakano
author: Priya Vashishta
published in: Computer Physics Communications
publication date: 2010-10-18T00:00:00Z
Mathematics Subject Classification ID: 82-04
Mathematics Subject Classification ID: 82C80
Mathematics Subject Classification ID: 81V55
Mathematics Subject Classification ID: 68W10
zbMATH DE Number: 5801465
zbMATH Keywords: parallel computing
zbMATH Keywords: molecular dynamics
zbMATH Keywords: density functional theory
zbMATH Keywords: linear scaling algorithm
MaRDI profile type: Publication
full work available at URL: j.cpc.2005.01.005
OpenAlex ID: W2134266318
cites work: Q4841247
cites work: A fast algorithm for particle simulations
cites work: Q5289008
DOI: 10.1016/J.CPC.2005.01.005
description: scientific article; zbMATH DE number 5801465