Computational Chemistry
in Chemical Engineering:
An AIChE Discussion Group
- 1996 Discussions and Attendees

This year's meeting began with self-introductions of the participants and their interests. A group Web page was announced (/am3/AIChE.html) and its contents were reviewed. Matt Neurock's "Application of Quantum Chemistry and Molecular Simulation to Heterogeneous Catalysis" and Jorge Seminario's "Recent Developments in Density Functional Theory: From First Principles to Molecular Dynamics" symposia at the Spring 1997 ACS Meeting were announced.

The main topic of discussion was a possible Topical Conference on "Applied Molecular and Materials Modeling" that would be held in Miami Beach at the 1996 Annual Meeting of AIChE. There was strong interest but there were strong concerns expressed as well. The response of the group will be reported to the programming organizations.

Finally, the diverse range of sessions on molecular modeling and simulations at the 1996 meeting was noted: