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Data-parallel molecular dynamics: 1-D hard-core fluid

โœ Scribed by Ernesto Bonomi; Marco Tomassini


Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
763 KB
Volume
70
Category
Article
ISSN
0010-4655

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โœฆ Synopsis


Molecular dynamics constitute a family of techniques for solving large classical N-body problems under a variety ot physical conditions. Modern massively parallel machines allow us to approach the simulation of matter at the atomistic level. thus enlarging the scope of computer modeling. Hard-core impulsive evolutions are intrinsically asynchronous and do not parallelize easily on multicomputers or vector machines. Using the l-D hard-core fluid as a paradigm, a data-parallel molecular dynamics algorithm with at least 16384 particles has been implemented on a Connection Machine CM-2.


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โœ William S. Young; Charles L. Brooks III ๐Ÿ“‚ Article ๐Ÿ“… 1994 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 828 KB

In this article, we describe a domain decomposition method for the efficient parallel computation of nonbonded forces and energies in condensed-phase molecular systems. This decomposition is based upon the monotonic logical grid (MLG) approach of Boris [J. Boris, 1. Comp. Phys., 66, 1 (1986)l and yi