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Physical Sciences and Mathematics Commons™
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Full-Text Articles in Physical Sciences and Mathematics
Surfaces Of Revolution In Virtual Reality, Joshua Harris
Surfaces Of Revolution In Virtual Reality, Joshua Harris
Undergraduate Research Conference
Why is this project needed?
❑ Surfaces of Revolution is many student’s first experience with three dimensional mathematical objects.
❑ The calculations required are not the inhibitor of the student’s understanding.
❑ Visualization of these solids along with the appropriate set up are the greatest hindrance to a deep under-standing of surfaces of revolution.
❑ Other tools that create computer generated visualizations of surfaces and curves in space render them as two-dimensional projections of a three dimensional object.
❑ Other tools typically do not have the capabilities of guided instruction, exploration of concepts on carefully chosen examples, and the ability …
Data Parsing For Optimized Molecular Geometry Calculations, Luke Rens
Data Parsing For Optimized Molecular Geometry Calculations, Luke Rens
Undergraduate Research Conference
The purpose of this project is to optimize and streamline to process of using ADF and ReaxFF. There is no efficient way to effectively add constraints to a compound and run it through ADF, take the ADF output and create a file that can be run through Reaxff, then take that Reaxff output and come to conclusions on it. To streamline this process, scripts were developed using Python to parse information out of data generated by ADF.