Acquisition of a Computational Resource for the Department of Chemistry at the University of North Texas

University Of North Texas, Denton TX

Investigators

Abstract

With this award from the Chemistry Research Instrumentation and Facilities: Multi User program (CRIF:MU), the Department of Chemistry at the University of North Texas will acquire a research computing cluster composed of a 16-node (plus a master node) computer with a quad-processor with a large capacity for data processing and archiving. All nodes will be connected with Gigabyte Ethernet. This computer cluster will be the capstone of the CASCaM (Center for Advanced Scientific Computing and Modeling) computing pyramid at this institution. The computer cluster will be used for calculations of chemical interest in a variety of research areas involving atmospheric chemistry, heterogeneous catalysis, electronic properties of conducting polymers, surface spectroscopy and reactivity, thermochemistry, high accuracy computational methods, bonding in organic compounds, actinide chemistry and materials chemistry. 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. The computing resource will permit research, research training, and research outreach opportunities.