Computing Facilities

Computational Laboratory

  • Twelve Linux workstations, locally networked with 100 Mbs Ethernet, HP LaserJet printer.
  • A 16-node dual processor Linux computing cluster.
  • The lab is designed to teach undergraduate and graduate courses involving computational methods and is open to both undergraduate and graduate students.

The software available in the laboratory includes:

    1. Numerical analysis packages - Mathematica and MatLab
    2. Molecular modeling programs - Sybyl from Tripos, Inc., and Macromodel from Schrodinger, Inc.
    3. Quantum chemistry programs - Gaussian 98/03, Gamess, and Jaguar from Schroedinger, Inc.

    Plutonium Cluster

    • The Plutonium Cluster is an 18-node plus master node 64 bit Linux system from PSSC Labs. The system is based on Intel Xeon E5420 2.5 GHz Quad Core processors and encompasses 152 processor cores, 292 GB memory, and 10.5 TB disk space in total.
    • Several free and commercial programs are installed, including Torque OpenPBS, MPI, Gaussian 03 (Rev. E.01), Gaussian 09 (Rev. A.02), and ADF (Ver. 2009.01).
    • Cluster use is free-of-charge for current faculty, students, and postdoctoral fellows of the Department of Chemistry. It is hosted in the NSIT server room in the Hinds building.

    Facility Details

    P: 773-702-7051
    E: zgasyna@uchicago.edu
    Facility Manager Zbigniew (Z.G.) Gasyna
    Computing Facilities
    5747 S. Ellis Avenue
    Chicago, Illinois 60637
    Copyright 2018 University of Chicago Chemistry