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ACCELERATING RATIONAL DRUG DESIGN WITH MULTI-THREADED ARRAY PROCESSORS

  • Manby, Frederick R (Principal Investigator)

Project Details

StatusFinished
Effective start/end date1/07/07 → 1/01/09

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  • 2 Article (Academic Journal)

  • A massively multicore parallelization of the Kohn-Sham energy gradients

    Brown, P., Woods, C., McIntosh-Smith, S. & Manby, F., Jul 2010, In: Journal of Computational Chemistry. 31, 10, p. 2008 - 2013 6 p.

    Research output: Contribution to journal › Article (Academic Journal) › peer-review

    15 Citations (Scopus)

  • Massively Multicore Parallelization of Kohn-Sham Theory

    Brown, P., Woods, C., McIntosh-Smith, S. & Manby, F. R., Oct 2008, In: Journal of Chemical Theory and Computation. 4, 10, p. 1620-1626 7 p.

    Research output: Contribution to journal › Article (Academic Journal) › peer-review

    23 Citations (Scopus)