Molecular dynamics with constraints

DOI10.1016/0021-9991(81)90127-3zbMath0473.76015OpenAlexW2034600750MaRDI QIDQ1158806

S. H. Smith

Publication date: 1981

Published in: Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/0021-9991(81)90127-3

zbMATH Keywords

reliabilityconservation lawsefficiencyaccuracyH2O microsystemmolecular dynamics with constraints

Mathematics Subject Classification ID

Probabilistic models, generic numerical methods in probability and statistics (65C20) Foundations, constitutive equations, rheology, hydrodynamical models of non-fluid phenomena (76A99)

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