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Dynamics of Oxidation of Aluminum Nanoclusters using Variable Charge Molecular-Dynamics Simulations on Parallel Computers

✍ Scribed by Campbell, Timothy; Kalia, Rajiv K.; Nakano, Aiichiro; Vashishta, Priya; Ogata, Shuji; Rodgers, Stephen

Book ID
118067623
Publisher
The American Physical Society
Year
1999
Tongue
English
Weight
169 KB
Volume
82
Category
Article
ISSN
0031-9007

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Vector and parallel algorithms for the m
Vector and parallel algorithms for the molecular dynamics simulation of macromolecules on shared-memory computers
✍ John E. Mertz; Douglas J. Tobias; Charles L. Brooks III; U. C. Singh πŸ“‚ Article πŸ“… 1991 πŸ› John Wiley and Sons 🌐 English βš– 797 KB

## Abstract A detailed description of vector/parallel algorithms for the molecular dynamics (MD) simulation of macromolecular systems on multiple processor, shared‐memory computers is presented. The algorithms encompass three computationally intensive portions of typical MD programs: (__1__) the ev