On the estimation and correction of discretization error in molecular dynamics averages
type: Item
instance of: scholarly article
title: On the estimation and correction of discretization error in molecular dynamics averages
zbMATH Open document ID: 1253.82003
author: Nana Arizumi
author: Stephen D. Bond
published in: Applied Numerical Mathematics
publication date: 2012-11-12T00:00:00Z
Mathematics Subject Classification ID: 82-08
zbMATH DE Number: 6104884
zbMATH Keywords: molecular dynamics
zbMATH Keywords: statistical mechanics
zbMATH Keywords: ensemble averages
zbMATH Keywords: symplectic integrators
zbMATH Keywords: Nosé-Poincaré Hamiltonian
describes a project that uses: GSHMC
MaRDI profile type: Publication
full work available at URL: j.apnum.2012.08.005
OpenAlex ID: W2088169969
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DOI: 10.1016/J.APNUM.2012.08.005
description: scientific article; zbMATH DE number 6104884