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Scalable and portable implementation of the fast multipole method on parallel computers

โœ Scribed by Shuji Ogata; Timothy J Campbell; Rajiv K Kalia; Aiichiro Nakano; Priya Vashishta; Satyavani Vemparala


Book ID
108314128
Publisher
Elsevier Science
Year
2003
Tongue
English
Weight
366 KB
Volume
153
Category
Article
ISSN
0010-4655

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A fast, scalable method for the parallel
โœ David E. Shaw ๐Ÿ“‚ Article ๐Ÿ“… 2005 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 231 KB

## Abstract Classical molecular dynamics simulations of biological macromolecules in explicitly modeled solvent typically require the evaluation of interactions between all pairs of atoms separated by no more than some distance __R__, with more distant interactions handled using some less expensive