Physics Commons^™

Applied Symmetry For Crystal Structure Prediction, Scott William Fredericks

UNLV Theses, Dissertations, Professional Papers, and Capstones

This thesis presents an original open-source Python package called PyXtal (pronounced "pi-crystal") that generates random symmetric crystal structures for use in crystal structure prediction (CSP). The primary advantage of PyXtal over existing structure generation tools is its unique symmetrization method. For molecular structures, PyXtal uses an original algorithm to determine the compatibility of molecular point group symmetry with Wyckoff site symmetry. This allows the molecules in generated structures to occupy special Wyckoff positions without breaking the structure's symmetry. This is a new feature which increases the space of search-able structures and in turn improves CSP performance.

It is shown that …

Autonomous Watercraft Simulation And Programming, Nicholas J. Savino

Undergraduate Theses and Capstone Projects

Automation of various modes of transportation is thought to make travel more safe and efficient. Over the past several decades advances to semi-autonomous and autonomous vehicles have led to advanced autopilot systems on planes and boats and an increasing popularity of self-driving cars. We simulated the motion of an autonomous vehicle using computational models. The simulation models the motion of a small-scale watercraft, which can then be built and programmed using an Arduino Microcontroller. We examined different control methods for a simulated rescue craft to reach a target. We also examined the effects of different factors, such as various biases …