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Chemical reaction dynamics: integration of coupled sets of ordinary differential equations on the Caltech hypercube

Authors:

A. KuppermannAuthors Info & Claims

C³P: Proceedings of the third conference on Hypercube concurrent computers and applications - Volume 2

Pages 1051 - 1061

https://doi.org/10.1145/63047.63059

Published: 03 January 1989 Publication History

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.

References

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Digital Library

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Cited By

Fox G(2006)Parallel computing comes of age: Supercomputer level parallel computations at CaltechConcurrency: Practice and Experience10.1002/cpe.43300101071:1(63-103)Online publication date: 27-Oct-2006
https://doi.org/10.1002/cpe.4330010107
(1994)BibliographyParallel Computing Works!10.1016/B978-0-08-051351-5.50027-0(877-970)Online publication date: 1994
https://doi.org/10.1016/B978-0-08-051351-5.50027-0
Wu YCuccaro SHipes PKuppermann A(1991)Quantum chemical reaction dynamics on a highly parallel supercomputerTheoretica Chimica Acta10.1007/BF0111369479:3-4(225-239)Online publication date: 1991
https://doi.org/10.1007/BF01113694
Show More Cited By

Index Terms

Chemical reaction dynamics: integration of coupled sets of ordinary differential equations on the Caltech hypercube
1. Applied computing
  1. Physical sciences and engineering
    1. Chemistry

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Published In

cover image ACM Conferences

C³P: Proceedings of the third conference on Hypercube concurrent computers and applications - Volume 2

January 1989

1787 pages

ISBN:0897912780

DOI:10.1145/63047

Editor:
Geoffrey Fox
California Institute of Technology, Pasadena, CA

Copyright © 1989 ACM.

Permission to make digital or hard copies of all or part of this work for personal or classroom use is granted without fee provided that copies are not made or distributed for profit or commercial advantage and that copies bear this notice and the full citation on the first page. Copyrights for components of this work owned by others than ACM must be honored. Abstracting with credit is permitted. To copy otherwise, or republish, to post on servers or to redistribute to lists, requires prior specific permission and/or a fee. Request permissions from [email protected]

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Published: 03 January 1989

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Hypercube88: Third Conference on Hypercube Concurrent Computers and Applications

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Cited By

Fox G(2006)Parallel computing comes of age: Supercomputer level parallel computations at CaltechConcurrency: Practice and Experience10.1002/cpe.43300101071:1(63-103)Online publication date: 27-Oct-2006
https://doi.org/10.1002/cpe.4330010107
(1994)BibliographyParallel Computing Works!10.1016/B978-0-08-051351-5.50027-0(877-970)Online publication date: 1994
https://doi.org/10.1016/B978-0-08-051351-5.50027-0
Wu YCuccaro SHipes PKuppermann A(1991)Quantum chemical reaction dynamics on a highly parallel supercomputerTheoretica Chimica Acta10.1007/BF0111369479:3-4(225-239)Online publication date: 1991
https://doi.org/10.1007/BF01113694
Messina PBaillie CFelten EHipes PWilliams RAlagar AKamrath ALeary RPfeiffer WRogers JWalker D(1990)Benchmarking advanced architecture computersConcurrency: Practice and Experience10.1002/cpe.43300203042:3(195-255)Online publication date: 1-Aug-1990
https://dl.acm.org/doi/10.1002/cpe.4330020304
Fox GHipes PSalmon JBailey F(1989)Practical parallel supercomputing: examples from chemistry and physicsProceedings of the 1989 ACM/IEEE conference on Supercomputing10.1145/76263.76270(58-69)Online publication date: 1-Aug-1989
https://dl.acm.org/doi/10.1145/76263.76270
Fox G(1989)What have we learnt from using real parallel machines to solve real problems?Proceedings of the third conference on Hypercube concurrent computers and applications - Volume 210.1145/63047.63048(897-955)Online publication date: 3-Jan-1989
https://dl.acm.org/doi/10.1145/63047.63048

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