An Interactive Laboratory in Computational Physical Chemistry

These materials are based on a course developed by Hannes Jónsson at the University of Washington. The content of the class has been augmented by the work of Susan Rempe and William Reinhardt.

This work was recognized by the Department of Energy by receiving an Undergraduate Computational Science Education Award.

The materials were modfied to work with the Yorick interactivity environment by Thomas L. Marchioro II and the members of the UCES project.

There are six elements to the class:
  1. Laboratory 1: Rates of Reactions
  2. Laboratory 2: Quantum Mechanical Wavefunctions
  3. Laboratory 3: Classical Dynamics
  4. Laboratory 4: Normal Modes
  5. Laboratory 5: Random Numbers
  6. Appendix 1: Introduction to Mathematica (note: this is a Mathematica file)
uces_info@krellinst.org
March 2, 1996