The Chemistry Department at the University of South Florida will acquire a 488-processor (122-node) computational cluster with this award from the Major Research Instrumentation (MRI) program. The cluster will advance theoretical research in a number of different areas and focus on molecular simulations, condensed phase electronic structure, interfacial and bulk spectroscopy simulations and transport methods development and applications. The applications include modeling materials, longtime dynamics, nonlinear spectroscopy, drug design, ab-initio molecular dynamics techniques and multi-scale modeling of sensor response.
A research grade computer cluster allows a high performance computer network to be shared by a group of theoretical and experimental scientists and engineers to perform simulations, modeling and exploration of properties and structures of material as well as prediction of results and properties. This cluster will be used in teaching and research by undergraduates and graduate students resulting in well trained students in model computational techniques. The cluster will be used by students and researchers in chemistry, chemical engineering, physics and research computing, and in partnership with two local undergraduate institutions that stress undergraduate research (the University of Tampa and Eckerd College).
