Please use this identifier to cite or link to this item: https://scholarbank.nus.edu.sg/handle/10635/114447
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dc.titleImproved O (N) neighbor list method using domain decomposition and data sorting
dc.contributor.authorYao, Z.
dc.contributor.authorWang, J.-S.
dc.contributor.authorCheng, M.
dc.date.accessioned2014-12-02T06:53:56Z
dc.date.available2014-12-02T06:53:56Z
dc.date.issued2004
dc.identifier.citationYao, Z.,Wang, J.-S.,Cheng, M. (2004). Improved O (N) neighbor list method using domain decomposition and data sorting. 2004 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2004 2 : 486-489. ScholarBank@NUS Repository.
dc.identifier.isbn0972842276
dc.identifier.urihttp://scholarbank.nus.edu.sg/handle/10635/114447
dc.description.abstractThe conventional Verlet table neighbor list algorithm is improved to reduce the number of unnecessary interatomic distance calculation in molecular simulations involving many atoms. Both of the serial and parallelized performance of molecular dynamics simulation are evaluated using the new algorithm and compared with those using the conventional Verlet table and cell-linked list algorithm. Results show that the new algorithm significantly improved the performance of molecular dynamics simulation compared with conventional neighbor list maintaining and utilizing algorithms in serial programs as well as parallelized versions.
dc.sourceScopus
dc.subjectData sorting
dc.subjectDomain decomposition
dc.subjectMolecular dynamics
dc.subjectNeighbor list
dc.subjectVerlet table
dc.typeConference Paper
dc.contributor.departmentSINGAPORE-MIT ALLIANCE
dc.contributor.departmentCOMPUTATIONAL SCIENCE
dc.description.sourcetitle2004 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2004
dc.description.volume2
dc.description.page486-489
dc.identifier.isiutNOT_IN_WOS
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