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

P. Hipes, T. Mattson, Mark Y.-S. Wu, A. Kuppermann
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引用次数: 5

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.
化学反应动力学:耦合常微分方程组在加州理工学院超立方体上的积分
利用加州理工学院/喷气推进实验室的超立方体多计算机解决化学动力学问题是本文的主题。具体应用是量子力学原子双原子分子反应散射。在顺序计算机上解决这一动力学问题的一种方法是基于对称超球坐标。我们将讨论在超立方体上实现超球坐标方法的策略。特别地,讨论了在此应用中出现的特殊常微分方程组的并联积分器的性能。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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