NSF East Asia and Pacific Summer Institute (EAPSI) for FY 2013 in Japan

Thomas Patrick R, Overland Park KS

Investigators

Abstract

This action funds Patrick Ryan Thomas of the University of Missouri, Kansas City (UMKC) to conduct a research project in physics during the summer of 2013 at the Department of Chemistry, School of Science and Technology, Kwansei Gakuin University in Japan. The project title is "Using Relativity in Calculations of the Optical and Electronic Properties of Materials." The host scientist is Professor Kazuyoshi Ogasawara. This research consists of two specific objectives to improve the representation of the wave function within the orthogonalized linear combination of atomic orbitals (OLCAO) method for technologically important materials, in this case Cerium doped YAG laser crystals. The first goal is to include relativistic effects in the wave function. Such relativistic orbitals are necessary but not sufficient for accurately computing key material properties such as the total energy and eliminating excessive errors which result in present calculations. The second objective is to develop an accurate approach to calculate the relativistic kinetic energy contribution by making use of a linear combination of kinetic energy calculations for isolated atoms. Broader impacts of an EAPSI fellowship include providing the Fellow a first-hand research experience outside the U.S.; an introduction to the science, science policy, and scientific infrastructure of the respective location; and an orientation to the society, culture, and language. These activities meet the NSF goal to educate for international collaborations early in the career of its scientists, engineers, and educators, thus ensuring a globally aware U.S. scientific workforce. In addition to working with his host researcher, the Fellow is also visiting the research labs of two other Japanese scientists to explore prospects for future collaborations. Results will be made available to the larger physics community via technical conference presentations and publications. The cultural experiences will be shared through the UMKC physics department's web site and other media outlets. Additionally, the Fellow has regular direct interactions with area high school students and undergraduate science students as tutor and teaching assistant thus giving him the opportunity to share with students, including many from underrepresented groups, the study of physics in an international setting.