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A Comprehensive Integration And Analysis Of Dynamic Load Balancing Architectures Within Molecular Dynamics, Christopher Reed Rogers
A Comprehensive Integration And Analysis Of Dynamic Load Balancing Architectures Within Molecular Dynamics, Christopher Reed Rogers
All Graduate Theses and Dissertations, Spring 1920 to Summer 2023
The world of nano-science is an ever-changing field. Molecular Dynamics (MD) is a computational suite of tools that is useful for analyzing and predicting behaviors of substances on the molecular level. The nature of MD is such that only a few types of computations are repeated thousands or sometimes millions of times over. Even a small increase speedup or efficiency of an MD simulator can compound itself over the life of the simulation and have a positive and observable effect. This thesis is the end result of an attempted speedup of the MD problem. Two types of MD architectures are …