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A Study of the Utility of a Machine-Learning Approach Applied to the Prediction of Site Occupancy and New Members of the Half-Heusler Family
DownloadFall 2019
Predicting the formation and structures of non-molecular inorganic compounds has long been a fundamental goal in solid state chemistry. In this thesis, machine learning approaches have been applied to confront this challenge, focusing in particular on the large family of half-Heusler compounds...
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Spring 2023
Glycosylation is one of the most abundant and diverse post-translational modifications. Glycans participate in various key biological functions and processes including immunity, cell adhesion, endocytosis, exocytosis, molecular trafficking, and signal transduction. Previous work from our lab...
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Fall 2013
Between the world of classical and quantum mechanics there lies a region where both are used to provide an accurate (quantum) but computationally tractable (classical) description of motion: semiclassical mechanics. The heart of semiclassical theory is the use of the classical path (or,...