Purchase of a Computer Cluster for the New UNT Computational Chemistry Research Facility

University Of North Texas, Denton TX

Investigators

Abstract

With support from the Chemistry Research Instrumentation and Facilities (CRIF) Program, the Department of Chemistry at the University of North Texas will acquire a computer cluster. This equipment will enhance research in a number of areas including a) reaction kinetics of gas-phase radicals; b) electronic properties of conducting polymers; c) detailed mechanisms of organic reactions; d) bonding and reactions at surfaces; e) development of electron correlation methodology; e) rational design of metal catalysts for organic synthesis; and g) modeling of luminescent materials. A cluster of fast, modern computer workstations is vital to serving the computing needs of active research departments. Such a "computer network" also serves as a development environment for new theoretical codes and algorithms, provides state-of-the-art graphics and visualization facilities, and supports research in state-of-the-art applications of parallel processing. These studies will have a significant impact in a wide number of areas, including materials science and synthetic organic chemistry.