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    2005
    ACM
    121views Applied Computing» more  SC 2005»
    Large-Scale First-Principles Molecular Dynamics simulations on the BlueGene/L Platform using the Qbox code
    15 years 9 months ago
    Large-Scale First-Principles Molecular Dynamics simulations on the BlueGene/L Platform using the Qbox code
    Download  www.civ.cvut.cz
    François Gygi, Robert K. Yates, Juergen Lor...
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    67
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    IBMRD
    2008
    43views more  IBMRD 2008»
    Architecture of Qbox: A scalable first-principles molecular dynamics code
    15 years 3 months ago
    Architecture of Qbox: A scalable first-principles molecular dynamics code
    Download  eslab.ucdavis.edu
    François Gygi
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    151
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    ICS
    2009
    Tsinghua U.
    165views Distributed And Parallel Com...» more  ICS 2009»
    Dynamic topology aware load balancing algorithms for molecular dynamics applications
    15 years 10 months ago
    Dynamic topology aware load balancing algorithms for molecular dynamics applications
    Download  charm.cs.uiuc.edu
    Molecular Dynamics applications enhance our understanding of biological phenomena through bio-molecular simulations. Large-scale parallelization of MD simulations is challenging b...
    Abhinav Bhatele, Laxmikant V. Kalé, Sameer ...
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    154
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    PPOPP
    2006
    ACM
    138views Distributed And Parallel Com...» more  PPOPP 2006»
    Performance characterization of molecular dynamics techniques for biomolecular simulations
    15 years 9 months ago
    Performance characterization of molecular dynamics techniques for biomolecular simulations
    Download  ft.ornl.gov
    Large-scale simulations and computational modeling using molecular dynamics (MD) continues to make significant impacts in the field of biology. It is well known that simulations...
    Sadaf R. Alam, Jeffrey S. Vetter, Pratul K. Agarwa...
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