A Massively Parallel Approach to the Quasiclassical Reactive Scattering

The suitability of massively parallel architectures for carrying out efficient calculations of quasiclassical rate constants for atom-diatom reactive processes has been investigated. Problems related to the parallel structuring of the computational procedure, fixed and scaled speed-ups, efficiency factors and their dependence upon the size of the problem, and the number of processors are discussed.