Parallel molecular dynamics simulations of alkane/hydroxylated \(\alpha\)-aluminium oxide interfaces

DOI10.1016/S0010-4655(00)00040-0zbMath0963.81500MaRDI QIDQ1578149

N. Delaunay

Publication date: 30 January 2001

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

Mathematics Subject Classification ID

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

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Modified force decomposition algorithms for calculating three-body interactions via molecular dynamics ⋮ Parallel algorithms for molecular dynamics with induction forces

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