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

, , , , , , , , , and . SC, page 24. IEEE Computer Society, (2005)

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BlueGene/L applications: Parallelism On a Massive Scale., , , , , , , , , and 32 other author(s). IJHPCA, 22 (1): 33-51 (2008)SIMD Vectorization of Straight Line FFT Code., , , and . Euro-Par, volume 2790 of Lecture Notes in Computer Science, page 251-260. Springer, (2003)FFT Compiler Techniques., , , , and . CC, volume 2985 of Lecture Notes in Computer Science, page 217-231. Springer, (2004)Automatic Performance Optimization of the Discrete Fourier Transform on Distributed Memory Computers., , , , and . ISPA, volume 4330 of Lecture Notes in Computer Science, page 818-832. Springer, (2006)Large-Scale First-Principles Molecular Dynamics simulations on the BlueGene/L Platform using the Qbox code., , , , , , , , , and . SC, page 24. IEEE Computer Society, (2005)Automatically Tuned FFTs for BlueGene/L's Double FPU., , , , and . VECPAR, volume 3402 of Lecture Notes in Computer Science, page 23-36. Springer, (2004)Vectorization techniques for the Blue Gene/L double FPU., , , and . IBM Journal of Research and Development, 49 (2-3): 437-446 (2005)Gordon Bell finalists I - Large-scale electronic structure calculations of high-Z metals on the BlueGene/L platform., , , , , , , , , and 1 other author(s). SC, page 45. ACM Press, (2006)