An optimized algorithm for molecular dynamics simulation of large-scale systems

DOI10.1006/JCPH.1996.0046zbMath0844.65095OpenAlexW1972676455MaRDI QIDQ1913739

H. Tietze, E. Glikman, N. V. Doan, I. Kelson

Publication date: 2 July 1996

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

Full work available at URL: https://doi.org/10.1006/jcph.1996.0046

zbMATH Keywords

large scale systemsmolecular dynamicscrystalmultiple time step method

Mathematics Subject Classification ID

Statistical mechanics of crystals (82D25) Finite difference methods for initial value and initial-boundary value problems involving PDEs (65M06) Applications to the sciences (65Z05)

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