Molecular dynamics with the massively parallel APE computers

DOI10.1016/S0010-4655(97)00086-6zbMath0941.81605OpenAlexW2134537563WikidataQ127220132 ScholiaQ127220132MaRDI QIDQ1967192

G. C. Rossi, S. Morante, G. La Penna, V. Minicozzi, G. Salina

Publication date: 14 March 2000

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/s0010-4655(97)00086-6

zbMATH Keywords

molecular dynamicsParallel computingliquid

Mathematics Subject Classification ID

Computational methods for problems pertaining to quantum theory (81-08) Molecular physics (81V55)

Cites Work

• RATTLE: A velocity version of the SHAKE algorithm for molecular dynamics calculations
• On the Product of Semi-Groups of Operators
• Unnamed Item
• Unnamed Item