Efficient particle labeling in atomistic simulations (Articolo in rivista)

Type
Label
  • Efficient particle labeling in atomistic simulations (Articolo in rivista) (literal)
Anno
  • 2007-01-01T00:00:00+01:00 (literal)
Alternative label
  • Meloni, S; Rosati, M; Colombo, L (2007)
    Efficient particle labeling in atomistic simulations
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Meloni, S; Rosati, M; Colombo, L (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 126 (literal)
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • CASPUR, Consorzio Applicaz Supercalcolo Univ & Recerca, I-00185 Rome, Italy; Univ Cagliari, Dept Phys, I-09042 Monserrato, Cagliari, Italy; INFM, CNR, SLACS, I-09042 Monserrato, Cagliari, Italy (literal)
Titolo
  • Efficient particle labeling in atomistic simulations (literal)
Abstract
  • The authors develop an efficient particle labeling procedure based on a linked cell algorithm which is shown to reduce the computing time for a molecular dynamics simulation by a factor of 3. They prove that the improvement of performance is due to the efficient fulfillment of both spatial and temporal locality principles, as implemented by the contiguity of labels corresponding to interacting atoms. Finally, they show that the present label reordering procedure can be used to devise an efficient parallel one-dimensional domain decomposition molecular dynamics scheme. (c) 2007 American Institute of Physics. (literal)
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