Parallel computing for 4-atomic molecular dynamics calculations
| dc.creator | Sultanov, Renat A. | |
| dc.creator | Nordby, Mark | |
| dc.creator | Guster, Dennis | |
| dc.date | 2006-02-03 | |
| dc.date.accessioned | 2026-07-07T07:04:01Z | |
| dc.date.available | 2026-07-07T07:04:01Z | |
| dc.description | We report the results of intensive numerical calculations for four atomic H2+H2 energy transfer collision. A parallel computing technique based on LAM/MPI functions is used. In this algorithm, the data is distributed to the processors according to the value of the momentum quantum number J and its projection M. Most of the work is local to each processor. The topology of the data communication is a simple star. Timings are given and the scaling of the algorithm is discussed. Two different recently published potential energy surfaces for the H2-H2 system are applied. New results obtained for the state resolved excitation-deexcitation cross sections and rates valuable for astrophysical applications are presented. Finally, more sophisticated extensions of the parallel code are discussed. | |
| dc.description | 9 pages, 7 figures | |
| dc.identifier | https://arxiv.org/abs/physics/0602025 | |
| dc.identifier | http://arxiv.org/abs/physics/0602025 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/109202 | |
| dc.subject | Chemical Physics | |
| dc.subject | Computational Physics | |
| dc.title | Parallel computing for 4-atomic molecular dynamics calculations | |
| dc.type | text |