Abstract
An atom diatom time dependent reactive scattering code has been implemented on a platform made of a CPU and a GPU. The detailed analysis of the implemented code led to its restructuring to exploit the architectural features of graphic processors. Resulting gains of efficiency of the code when used for a prototype case study are compared.
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Pacifici, L., Nalli, D., Laganà, A. (2012). Quantum Reactive Scattering Calculations on GPU. In: Murgante, B., et al. Computational Science and Its Applications – ICCSA 2012. ICCSA 2012. Lecture Notes in Computer Science, vol 7333. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-31125-3_23
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DOI: https://doi.org/10.1007/978-3-642-31125-3_23
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