Home
People
Research
Academic Programs
Departmental Operations
Events Calendar
Bulletin Board
Visit Us in Real Space
Chemistry Web Resources
Site Map

Research

Computing Facilities

The Department provides a local area network with thickwire Ethernet and fiber optic trunk and 10BaseT connections to desktop systems. A central Unix-based e-mail server and NT-based web server are maintained by one computer support staff member and a Computing and Networking Committee. A set of common access PC's and workstations are available to all graduate students in a Graduate Computing Facility that provides both research and instructional support applications. MGLThe Chemistry Learning Center provides instructional support for our undergraduate programs. Separate networks and workstation clusters support computational efforts within the Computational Center for Molecular Structure and Design and the Center for Computational Quantum Chemistry.

University Computing and Networking Services is a service unit of the University that provides multiple computing environments to support research and instruction on campus. UCNS operates the campus broadband network with access to the Internet, NSFNET, SURANET, etc. High-performance computing resources are available through an IBM SP2, which is a 9076 model 202 with 10 thin (66 MHz) nodes and a high-performance switch connecting the nodes. Each node is similar to an RS/6000 model 390 and has a peak mflop rating of 266. The Research Computing Resource operates on the SGI Origin 2000 Complex, using a front-end Power Challenge with 4 X 195MHz MIPS R10000 processors with 1MB cache memory and 512 MB of system memory. The RCR provides numerous applications in computational chemistry, molecular modeling, and gene and protein sequence analysis for the biological sciences.

UCNS also supports a number of outlying computing facilities, including the Molecular Graphics Laboratory, located in the Chemistry Building. This facility provides a state-of-the-art teaching laboratory for instruction in graphical molecular modeling utilizing computational software tools and databases. It operates eleven SGI workstations, as well as an Origin 2000 compute server. The software installed includes SYBYL (Tripos Associates, Inc.), Spartan (Wavefunction, Inc.), InsightII and Discover (Molecular Simulations, Inc.), Amber, Rasmol, MolScript, Amsol, and Delphi. Fully updated copies of the Brookhaven Protein Data Bank and the Cambridge Crystallographic Database are available in the MGL.

Back to Research Support Facilities