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Science: Computational challenges
    Wednesday July 18, 2012 1:45pm - 2:15pm @ Toledo 5th Floor

    Science: Computational challenges in nanoparticle partition function calculation

    Abstract: Bottom-up building block assembly is a useful technique for determining thermodynamically stable configurations of certain physical particles. This paper provides a description of the computational bottlenecks encountered when generating large configurations of particles. We identify two components; cluster pairing and shape matching, that dominate the run time. We present scaling data for a simple example particle and discuss opportunities for enhancing implementations of bottom-up building block assembly for studying larger or more complex systems.



    Type Science Track
    Session Titles Statistical Methods/Weather

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