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    Performance Modeling, Analysis, and Optimization of Cell-List Based Molecular Dynamics
    12 years 11 months ago
    Performance Modeling, Analysis, and Optimization of Cell-List Based Molecular Dynamics
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    - We have developed a performance prediction model for non-bonded interaction computations in molecular dynamics simulations, thereby predicting the optimal cell dimension in a lin...
    Manaschai Kunaseth, Rajiv K. Kalia, Aiichiro Nakan...
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