Workshop/Forum: Emerging Methods in Computational Chemistry and Materials Science

      EMERGING METHODS IN COMPUTATIONAL CHEMISTRY AND MATERIALS SCIENCE
                    Sheraton Four Points Hotel, Aberdeen MD
                              April 29-30, 1999
 The Army Research Laboratory Programming Environment and Training Program
 is pleased to announce a workshop/forum on Emerging Methods in Computational
 Chemistry and Materials Science.  In this event, through a combination of
 seminar and forum environments, we hope to elucidate new developments in
 computational chemistry and materials science, explore their potential
 application to important DoD research, and help to promote DoD / academic
 cooperation and collaboration.  The specific focus areas include:
     * Solvation Effects
     * Polymer Modeling
     * Materials and Surfaces
 ITINERARY:
 Solvation Effects  (1:15 - 5:15 p.m., April 29)
 -----------------
   * Dr. Daniel Chipman (University of Notre Dame)
     "Incorporation of Solvent Effects into Methods for Electronic Structure
     Calculation"
   * Dr. Jan Florian (University of Southern California)
     "The Structure, Reactivity, and Interactions of Small Organic Molecules
     in Aqeuous Solutions: A Computational Perspective"
   * Dr. Lawrence Pratt (Los Alamos National Laboratory)
     "Electronic Structure Calculations for Solution Species: the
 Quasi-Chemical
     Approximation of Statistical Thermodynamics"
 Polymer Modeling  (8:30 a.m. - 12:15 p.m., April 30)
 ----------------
   * Dr. Gregory Rutledge (Massachusetts Institute of Technology)
     "Applications of Molecular Modeling in Semicrystalline Polymers"
   * Dr. Shashi Karna (U.S. Air Force Research Laboratory)
     "New Developments in the Time-Dependent Hartree-Fock Theory and its
     Applications to Photonics Materials Development"
   * Dr. Peter Ludovice (Georgia Institute of Technology)
     "Simulation of Commercial Polymers with Intermediate Levels of
     Structural Order"
 Materials and Surfaces  (1:30 - 5:15 p.m., April 30)
 ----------------------
   * Dr. Emily Carter (UCLA)
     "First Principles Energetics, Kinetics, and Dynamics of Chemistry
     at Interfaces"
   * Dr. Susan Sinnott (University of Kentucky)
     "Computational Studies of Carbon Nanotubule-Based Probes, Membranes,
 and
     New Materials"
   * Dr. Jerry Whitten (North Carolina State University)
     "Future Directions of Theoretical Work in the Design of Materials
     and Surfaces"
 Please register online by April 23 at:
            http://www.arl.hpc.mil/PET/cta/ccm/workshops/emerg/reg.html
 For more information, please refer to the Workshop Web site at:
         http://www.arl.hpc.mil/PET/cta/ccm/workshops/emerg/index.html
 or contact:
                 Margaret Hurley     or     Gerry Lushington
                 hurley \\at// arl.mil             gerald \\at// ccl.net
                 410-278-7591               614-292-6036