High Performance Computing in Materials Physics and Chemistry. (Focus Area: Integrating High Performance Computing into Research)

A Graduate Research Training program is proposed that integrates high performance computing into a multidisciplinary thrust in materials physics and chemistry. The program is designed to provide students with state-of-the-art knowledge in quantum and condensed matter theory, atomistic simulation methods and effective use of massively parallel computers. The program takes advantage of the expertise of six faculty members from the Departments of Physics, Chemistry and Chemical Engineering and incorporates courses, research projects, seminars and tutorials to train students for leadership in advanced materials technology. A resource center with student offices and shared capabilities for distributed computing will encourage interdisciplinary interactions. Students, especially women and minorities, will be vigorously recruited through three REU programs as well as the normal institutional recruiting channels. The proposed program will produce scientists with a broad knowledge of materials theory and extensive experience in high performing computing.