ABSTRACT CTS-9725591 Peter Cummings This project supports a planning meeting for the "Workshop on Future Directions in Molecular Simulations and Computational Chemistry: Fundamentals and Applications", at which the Steering Committee for the workshop will develop detailed plans (including the invitee list, location and schedule of the workshop). Additionally, as part of its deliberations the Steering Committee will produce a short, 2-4 page document outlining identifiable trends in molecular simulation and computational chemistry, measures of the growing importance of the two years, synergism between the two areas, and potential funding directions. This document will serve as a very preliminary version of the more detailed report, which will emerge, from the full workshop, as well as providing a focal point for the presentations and discussions in the workshop. The Steering Committee for the Workshop on Future Directions in Molecular Simulation and Computational Chemistry may consist of Peter T. Cummings (Chair, University of Tennessee and Oak Ridge National Laboratory), Keith E. Gubbins or Athanassios Z. Panagiotopoulos (Cornell University), Phillip R Westmoreland (University of Massachussetts) and Matthew Neurock (University of Virginia). The funds provided in this award would permit these five individuals to meet for a 1.5-day planning meeting at NSF in Arlington, VA. A report will be developed in draft form over the course of the meeting and communicated by the principal investigator to Dr. Wellek at NSF for expenses. ***
