Large-Scale First-Principles Molecular Dynamics simulations on the BlueGene/L Platform using the Qbox code

François Gygi, Robert K. Yates, Juergen Lorenz, Erik W. Draeger, Franz Franchetti, Christoph W. Ueberhuber, Bronis R. de Supinski, Stefan Kral, John A. Gunnels, James C. Sexton. Large-Scale First-Principles Molecular Dynamics simulations on the BlueGene/L Platform using the Qbox code. In Proceedings of the ACM/IEEE SC2005 Conference on High Performance Networking and Computing, November 12-18, 2005, Seattle, WA, USA, CD-Rom. pages 24, IEEE Computer Society, 2005. [doi]

Abstract

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