Browsing Theses and Dissertations(library) by Author "Guy, Ashley Chase"
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A New Adaptive Multiscale Approach for the Dynamic Modeling and Simulation of Biomolecular Systems
Guy, Ashley Chase; 0000-0002-7045-6965This dissertation presents three developments in the simulation of sub-micron dynamical systems. First, a new thermostat formulation is shown to strictly enforce the constant temperature constraint necessary in many ...