Nonadiabatic Ab Initio Surface-Hopping Dynamics Calculation in a Grid Environment - First Experiences

Matthias Ruckenbauer, Ivona Brandic, Siegfried Benkner, Wilfried N. Gansterer, Osvaldo Gervasi, Mario Barbatti, Hans Lischka. Nonadiabatic Ab Initio Surface-Hopping Dynamics Calculation in a Grid Environment - First Experiences. In Osvaldo Gervasi, Marina L. Gavrilova, editors, Computational Science and Its Applications - ICCSA 2007, International Conference, Kuala Lumpur, Malaysia, August 26-29, 2007. Proceedings, Part I. Volume 4705 of Lecture Notes in Computer Science, pages 281-294, Springer, 2007. [doi]

Abstract

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