Published January 1988 | Version public
Book Section - Chapter

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

  • 1. ROR icon California Institute of Technology

Contributors

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.

Additional Information

© 1988 ACM. It is a pleasure to acknowledge the support of the Department of Energy, grant DE-FG-03-85ER25009.

Additional details

Identifiers

Eprint ID
71717
DOI
10.1145/63047.63059
Resolver ID
CaltechAUTHORS:20161103-132350971

Related works

Describes
10.1145/63047.63059 (DOI)

Funding

Department of Energy (DOE)
DE-FG-03-85ER25009

Dates

Created
2016-11-03
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Updated
2021-11-11
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