Hipes, Paul G. and Mattson, Tim and Wu, Mark Y.-S. and Kuppermann, Aron (1988) Chemical reaction dynamics: integration of coupled sets of ordinary differential equations on the Caltech hypercube. In: C3P Proceedings of the third conference on Hypercube concurrent computers and applications. Vol.2. ACM , New York, NY, pp. 1051-1061. ISBN 0-89791-278-0. https://resolver.caltech.edu/CaltechAUTHORS:20161103-132350971
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Abstract
Use of the Caltech/JPL hypercube multicomputer to solve problems in chemical dynamics is the subject of this paper. The specific application is quantum mechanical atom diatomic molecule reactive scattering. One methodology for solving this dynamics problem on a sequential computer is based on symmetrized hyperspherical coordinates. We will discuss our strategy for implementing the hyperspherical coordinate methodology on the hypercube. In particular, the performance of a parallel integrator for the special system of ordinary differential equations which arises in this application is discussed.
| Item Type: | Book Section | |||||||||
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| Additional Information: | © 1988 ACM. It is a pleasure to acknowledge the support of the Department of Energy, grant DE-FG-03-85ER25009. | |||||||||
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| DOI: | 10.1145/63047.63059 | |||||||||
| Record Number: | CaltechAUTHORS:20161103-132350971 | |||||||||
| Persistent URL: | https://resolver.caltech.edu/CaltechAUTHORS:20161103-132350971 | |||||||||
| Official Citation: | P. G. Hipes, T. Mattson, Y-S. Wu, and A. Kuppermann. 1989. Chemical reaction dynamics: integration of coupled sets of ordinary differential equations on the Caltech hypercube. In Proceedings of the third conference on Hypercube concurrent computers and applications - Volume 2 (C3P), Geoffrey Fox (Ed.), Vol. 2. ACM, New York, NY, USA, 1051-1061. DOI=http://dx.doi.org/10.1145/63047.63059 | |||||||||
| Usage Policy: | No commercial reproduction, distribution, display or performance rights in this work are provided. | |||||||||
| ID Code: | 71717 | |||||||||
| Collection: | CaltechAUTHORS | |||||||||
| Deposited By: | INVALID USER | |||||||||
| Deposited On: | 03 Nov 2016 23:54 | |||||||||
| Last Modified: | 11 Nov 2021 04:49 |
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