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

From: Gerald Lushington <[email-masked]>
Date: Wed, 17 Mar 1999 18:20:43 -0500 (EST)

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
                [email-masked]             [email-masked]
                410-278-7591               614-292-6036