We performed a simulation of a cluster of five water molecules at 300 K using an ab initio potential. In our first study, the interactions were calculated at the U Ε½ . HartreeαFock level using a 6-31G basis set. A parallel big move hybrid Monte Carlo algorithm was used to conduct this modeling. We c
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An efficient parallel implementation of the Monte Carlo particle simulation algorithm on a network of personal computers
β Scribed by Robert R. van Zyl; Willem J. Perold; Hans Grobler
- Publisher
- John Wiley and Sons
- Year
- 2000
- Tongue
- English
- Weight
- 180 KB
- Volume
- 13
- Category
- Article
- ISSN
- 0894-3370
No coin nor oath required. For personal study only.
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An efficient algorithm for implementing the finite-element ( ) time-domain FETD method on parallel computers is presented. An unconditionally stable implicit FETD algorithm is combined with the ( ) finite-element tearing and interconnecting FETI method. This domain decomposition algorithm con¨erges