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Showing 1 to 3 of 3 for “"GOMC"”.
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Force Field Development With Gomc A Fast New Monte Carlo Molecular Simulation Code
<p>In this work GOMC (GPU Optimized Monte Carlo) a new fast, flexible, and free molecular Monte Carlo code for the simulation atomistic chemical systems is presented. The results of a large Lennard-Jonesium simulation in the Gibbs ensemble is presented. Force fields developed using the code are …
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Efficient Algorithms And Optimizations For Scientific Computing On Many-Core Processors
… large systems, a new GPU framework called GOMC is implemented to simulate different particle and molecular-based force fields and ensembles. GOMC simulates different Monte Carlo ensembles such as the canonical, grand canonical, and Gibbs ensembles. This work describes many challenges in …
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Advanced Optimization Techniques For Monte Carlo Simulation On Graphics Processing Units
… simulation engine implemented using GPUs, called GOMC. The code will utilize the canonical ensemble, and the Gibbs ensemble method, which will allow for the simulation of multiple phenomena, including liquid-vapor phase coexistence, and single and multi-component adsorption in porous materials. In …