Linked cell traversal algorithms for three-body interactions in molecular dynamics

DOI10.1016/J.CPC.2026.110028MaRDI QIDQ7242086zbMATH OpenFDO

Authors José Alfonso Pinzón Escobar, Markus Mühlhäußer, Hans-Joachim Bungartz, Philipp Neumann

Publication date 13 May 2026

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

Full work available at URL https://doi.org/10.1016/J.CPC.2026.110028

zbMATH Keywords

linked cellsmolecular dynamicsparallel computingthree-body forces

Mathematics Subject Classification ID

Fluid mechanics (76-XX) Biology and other natural sciences (92-XX)

Cites work

• Handling three-body potentials in computer simulation
• scientific article; zbMATH DE number 6789886 (Why is no real title available?)
• N ways to simulate short-range particle systems: automated algorithm selection with the node-level library AutoPas

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