Fragment Molecular Orbital Method Adaptations for Heterogeneous Computing Platforms

Sai Kiran Talamudupula, Masha Sosonkina, Alexander Gaenko, Michael W. Schmidt. Fragment Molecular Orbital Method Adaptations for Heterogeneous Computing Platforms. In Hesham H. Ali, Yong Shi, Deepak Khazanchi, Michael Lees, G. Dick van Albada, Jack Dongarra, Peter M. A. Sloot, editors, Proceedings of the International Conference on Computational Science, ICCS 2012, Omaha, Nebraska, USA, 4-6 June, 2012. Volume 9 of Procedia Computer Science, pages 489-497, Elsevier, 2012. [doi]

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