Browsing Chemistry by Author "Constable, Stephen Joel"
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Path Integral Approaches and Graphics Processing Unit Tools for Quantum Molecular Dynamics Simulations
Constable, Stephen Joel (University of Waterloo, 2012-08-21)This thesis details both the technical and theoretical aspects of performing path integrals through classical Molecular Dynamics (MD) simulations. In particular, Graphics Processing Unit (GPU) computing is used to augment ...