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Full-Text Articles in Physical Sciences and Mathematics
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.
A Multiplicative "Conic", Tiffany Lundy
A Multiplicative "Conic", Tiffany Lundy
Undergraduate Research Conference
Early in their mathematical career, students learn about how ellipses and hyperbolas are formed, their properties, and their applications. In particular, an ellipse is the set of all points in the plane whose combined distance from two fixed locations (foci) is constant. A hyperbola is formed in much the same way, except instead of combining (adding) the distance from the foci, the difference is used. This research begins by examining a new locus of points. The locus of points if formed by taking all points whose distance from two fixed locations when multiplied in constant. The difference discernible types of …