NCSA/Gaussian Workshop in June

[gaussian.com!moses "-at-" lorentzian.com (David Moses)]

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    The National Center for Supercomputing Applications and
          Gaussian, Inc. are pleased to announce:
      Quantum Chemistry for Engineers and Chemists in the
                 Chemical Process Industry
  Date:      June 3-6, 1997
  Location:  National Center for Supercomputing Applications
             Urbana-Champaign, IL
  The National Center for Supercomputing Applications (NCSA) in conjunction
  with Gaussian, Inc. are pleased announce a workshop tuned to address the
  needs of researchers in the chemical process industry who need to add
  electronic structure methods to their arsenal of research tools.
  State of the art electronic structure methods and main stream chemical
  process industry (CPI) applications are converging at a rapid pace.
  Computational models now have the accuracy and reliability to predict
  physical properties at costs and time frames competitive with experimental
  approaches.  This course will lay out the methods of electronic structure
  theory and describe how to extract physical properties from calculations.
  While this workshop is oriented to chemical engineering topics we encourage
  you to consider sending chemist/chemical engineer teams to gain optimal
  benefit.
       Instructors:
         Dr. Michael J. Frisch               Gaussian, Inc.
         Prof. Phillip Westmoreland          Univ. of Massachusetts
         Prof. Matthew Neurock               Univ. of Virginia
         Dr. Douglas J. Fox                  Gaussian, Inc.
       Tentative Agenda Topics:
         Computational Chemistry: A CPI Perspective
         Introduction to Electronic Structure Theory
         Predicting Thermodynamics with Model Chemistries
         Geometry Optimization Techniques
         Electron Correlation Methods
         Density Functional Theory Methods
         Theoretical Methods for Optical and UV Spectra
         Predicting Molecular Properties
         Continuum Models for Solvation
         Case Studies: Electronic Structure Methods in Process Design
                     : Model Assessment for Physical Properties
  There will be hands-on sessions each day between the morning and  afternoon
  lectures.  Additional hands-on sessions will be available until the building
  closes. Workshop participants will be provided with use of an SGI
  workstation to complete exercises, experiment and/or conduct short research
  topics.  Each workshop participant will also be provided a copy of the
  lecture notes, a copy of Exploring Chemistry with Electronic Structure
  Methods (2nd. Ed.)  and a copy of the Gaussian 94 User's Reference.
  For Application please contact:
         Workshop Coordinator
         Gaussian, Inc.
         Carnegie Office Park
         Bldg. 6, Suite 230
         Pittsburgh, PA  15106 USA
   Additional information can be obtained from
         Telephone: (412) 279-6700
         Fax:       (412) 279-2118
         Email:     info "-at-" gaussian.com
  DEADLINES:
         Receipt of Registration Materials:      May 2, 1997
  This notice is sent without warranty of any kind, expressed or implied
  by Gaussian, Inc. or NCSA.  Gaussian is a registered trademark of
  Gaussian, Inc.
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