Error and timing analysis of multiple time-step integration methods for molecular dynamics
type: Item
instance of: scholarly article
title: Error and timing analysis of multiple time-step integration methods for molecular dynamics
zbMATH Open document ID: 1196.82050
author: Guowen Han
author: Yuefan Deng
author: James Glimm
author: Glenn J. Martyna
published in: Computer Physics Communications
publication date: 2010-10-18T00:00:00Z
Mathematics Subject Classification ID: 82-08
zbMATH DE Number: 5801712
zbMATH Keywords: multiple time-step
zbMATH Keywords: Ewald methods
zbMATH Keywords: Coulomb forces
zbMATH Keywords: molecular dynamics
zbMATH Keywords: error analysis
describes a project that uses: SETTLE
MaRDI profile type: Publication
full work available at URL: j.cpc.2006.10.005
OpenAlex ID: W2082220380
cites work: Q3996938
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cites work: Dangers of multiple time step methods
cites work: Q3811780
cites work: Q5564149
cites work: Q3994787
cites work: Comments on P\(^3\)M, FMM, and the Ewald method for large periodic Coulombic systems
cites work: Masking resonance artifacts in force-splitting methods for biomolecular simulations by extrapolative Langevin dynamics
cites work: Q4315882
cites work: Algorithmic challenges in computational molecular biophysics
cites work: Ewald summation techniques in perspective: A survey
DOI: 10.1016/J.CPC.2006.10.005
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description: scientific article; zbMATH DE number 5801712