N ways to simulate short-range particle systems: automated algorithm selection with the node-level library AutoPas

DOI10.1016/j.cpc.2021.108262OpenAlexW4200457735WikidataQ114192712 ScholiaQ114192712MaRDI QIDQ6102025

Steffen Seckler, Fabio Alexander Gratl, Hans-Joachim Bungartz, Philipp Neumann

Publication date: 20 June 2023

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

Full work available at URL: https://doi.org/10.1016/j.cpc.2021.108262

zbMATH Keywords

molecular dynamicsautomatic algorithm selectionHPCauto-tuningdynamic tuningN-body simulation

Mathematics Subject Classification ID

Computer science (68-XX)

Related Items (1)

Towards auto-tuning multi-site molecular dynamics simulations with autopas

Cites Work

• Unnamed Item
• Fast parallel algorithms for short-range molecular dynamics
• Comparison of macro- and microscopic solutions of the Riemann problem. I: Supercritical shock tube and expansion into vacuum
• Hamiltonian formulation of the variable-\(h\) SPH equations

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