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Improved O(N) neighbor list method using domain decomposition and data sorting

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dc.contributor.author Yao, Zhenhua
dc.contributor.author Wang, Jian-Sheng
dc.contributor.author Cheng, Min
dc.date.accessioned 2003-12-14T22:41:47Z
dc.date.available 2003-12-14T22:41:47Z
dc.date.issued 2004-01
dc.identifier.uri http://hdl.handle.net/1721.1/3884
dc.description.abstract The conventional Verlet table neighbor list algorithm is improved to reduce the number of unnecessary inter-atomic distance calculations in molecular simulations involving large amount of 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 programs. en
dc.description.sponsorship Singapore-MIT Alliance (SMA) en
dc.format.extent 73830 bytes
dc.format.mimetype application/pdf
dc.language.iso en_US
dc.relation.ispartofseries High Performance Computation for Engineered Systems (HPCES);
dc.subject O(N) neighbor list method en
dc.subject domain decomposition en
dc.subject data sorting en
dc.subject Verlet table neighbor list algorithm en
dc.subject molecular dynamics simulation en
dc.subject cell-linked list algorithm en
dc.title Improved O(N) neighbor list method using domain decomposition and data sorting en
dc.type Article en


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