Algorithm optimization in molecular dynamics simulation

DOI10.1016/J.CPC.2007.05.009zbMath1196.82111OpenAlexW2071779674MaRDI QIDQ710156

Fei-Bin Hsiao, Cheng-Hsin Chuang, Yung-Chun Lee, Di-Bao Wang

Publication date: 18 October 2010

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

Full work available at URL: https://doi.org/10.1016/j.cpc.2007.05.009

zbMATH Keywords

optimizationalgorithmmolecular dynamicsneighbor list

Mathematics Subject Classification ID

Related Items (2)

Efficiency of linked cell algorithms ⋮ An efficient linked list for molecular simulations on a spherical surface

Cites Work

• Unnamed Item
• A multiple-heaps algorithm for parallel simulation of collision systems
• Faster neighbour list generation using a novel lattice vector representation
• Efficient parallel algorithms for molecular dynamics simulations

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