Physics Commons^™

Cluster Expansion Models Via Bayesian Compressive Sensing, Lance Jacob Nelson

Theses and Dissertations

The steady march of new technology depends crucially on our ability to discover and design new, advanced materials. Partially due to increases in computing power, computational methods are now having an increased role in this discovery process. Advances in this area speed the discovery and development of advanced materials by guiding experimental work down fruitful paths. Density functional theory (DFT)has proven to be a highly accurate tool for computing material properties. However, due to its computational cost and complexity, DFT is unsuited to performing exhaustive searches over many candidate materials or for extracting thermodynamic information. To perform these types of …