Transparent conductive oxides (TCO) are at the forefront of technology with their uses in
touch screen phones and televisions, solar cells and more. Titanium dioxide and tin dioxide are two TCOs that have been studied in depth on their own, so to further explore these TCOs, this project focuses on...
The North American Nanohertz Observatory for Gravitational Waves (NANOGrav) is an international collaboration that seeks to use perturbations in the time of arrivals of pulsar signals to detect gravitational waves in the nanohertz range of frequencies. The 15-year data set will be released as of June 2023. It is a...
Crystals are solid materials with periodic and symmetric molecular patterns. The structure of a crystalline solid determines its properties, making it essential to study its structures. From the principle of minimum energy, a crystal will choose a structure with the lowest free energy F = U – TS. At low...
Brownian motion is the movement of a particle in a fluid resulting from collisions with surrounding molecules. It has modern applications in simulating fluid dynamics and the motion of proteins in biophysics. Brownian motion simulations generally evolve the initial state by applying Newton’s second law to every particle. These simulations...
Semiconductors serve an integral role in our technologies today. However, with new advancements in ultra-fast electronics, we are approaching the fundamental speed limits of traditional silicon-based semiconductors. Silicon-based semiconductors typically exhibit photocarrier dynamics in nanosecond timescales. Transition metal dichalcogenides (TMDs) are 2D materials shown to exhibit photocarrier dynamics in picosecond...
Organic semiconductors are a promising alternative to the traditional inorganic semiconductors, such as silicon. Organics are solution-processable, low-cost, sustainable, and have interesting optoelectronic properties. One such property is the formation of exciton-polaritons, quantum quasi-particles formed by an electron-hole pair in the semiconductor and a photon. This process can be induced...
Computational statistical mechanics leans heavily on the class of Markov Chain Monte Carlo Algorithms. Many such algorithms exist, and simulations can run for several weeks, making the selection of algorithms a difficult, but critical task. In this work, we introduce a benchmark system of two quadratic wells with an analytical...
TiO₂ typically crystallizes into three polymorphs: brookite, rutile, and anatase. The phase selection problem in TiO₂ is the lack of understanding what conditions cause amorphous TiO₂ to crystallize into one of its three polymorphs during an annealing process. It has been recently shown that phase selection in TiO₂ is highly...
Fluorescent proteins have emerged as an essential toolset for bioimaging, creating a demand for engineering proteins with new and improved fluorescent properties. In this thesis, I explore the atomistic structure of REX-GECO1, a newly engineered protein biosensor that has unique optical properties. Since this protein has no available crystal structure,...