An optimized task-farm model to integrate reduced dimensionality Schrödinger equations on distributed memory architectures


This paper investigates the parallelization of a quantum reactive scattering code that tackles the problem of integrating a two-dimensional Schrödinger equation. Computational codes integrating differential equations associated with quantum chemistry problems are known to be difficult to parallelize. A detailed examination of the algorithms and a careful… (More)
DOI: 10.1016/S0167-739X(98)00056-9


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