ABSTRACT CTS-9801293 Peter T. Cummings/U. of Tenn This proposal seeks funds to support a National Science foundation workshop, entitled: "Workshop on Future directions in Molecular Modeling and Simulation: Fundamentals and Applications," to be held at the National Science foundation, November 3-4, 1997. A broad spectrum of approximately 20 experts from academia, industry and government laboratories have been invited, and agreed, to make presentations in the workshop. An additional 20 researchers will participate in the workshop's discussions and breakout sessions. The workshop will deliver a report to the National Science Foundation by December 1, 1997. The goals of the workshop are: 1. To survey the current state of the art in academic research and industrial practice in the areas of computational chemistry and molecular simulation; 2. To identify major impediments to further progress in the field and the adoption of these methods by industry; and 3. To determine highly promising new directions for methodological developments and application areas. The report of this workshop will provide a working document for National Science foundation staff to provide guidance to the academic research community as to important opportunities and needs for research in Molecular Modeling and Simulation.
