An improved algorithm for molecular dynamics simulation of rigid molecules

DOI10.1016/0021-9991(85)90151-2zbMath0588.65002OpenAlexW2069202716MaRDI QIDQ1073532

Roland Sonnenschein

Publication date: 1985

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

Full work available at URL: https://doi.org/10.1016/0021-9991(85)90151-2

zbMATH Keywords

molecular dynamics simulationquaternion parametersrotation of rigid molecules

Mathematics Subject Classification ID

Probabilistic models, generic numerical methods in probability and statistics (65C20) Dynamics of a system of particles, including celestial mechanics (70F99)

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Cites Work

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