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Showing 1 to 3 of 3 for “"Cell List"”.
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GPU-Optimized Hybrid Neighbor/Cell List Algorithm for Coarse-Grained Molecular Dynamics Simulations
Molecular Dynamics (MD) simulations provide a molecular-resolution picture of
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Efficient Algorithms And Optimizations For Scientific Computing On Many-Core Processors
… for Monte Carlo Gibbs ensemble using cell lists. Designing Monte Carlo molecular simulations is challenging as they have less computation and parallelism when compared to similar molecular dynamics applications. The modified cell list allows for more speedup gains for energy …
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Advanced Optimization Techniques For Monte Carlo Simulation On Graphics Processing Units
… algorithms to run on the GPU with and without cell list structure have been implemented. The total speedup of the parallel code with cell list over the serial code was more than 160x faster. Moreover, for the grand canonical ensemble, a serial and two parallel algorithms have been developed. …