Subject: Gaussian Workshop at NESC

From: "D.J. Moses, 412-279-6700, 412-279-2118 (Fax)" <[email-masked]>
Date: Mon, 25 Jul 1994 10:22:44 -0400 (EDT)

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 NESC announces:

 INTRODUCTION TO GAUSSIAN:  THEORY AND PRACTICE

 Date:      September 21-23, 1994

 Location:  National Environmental Supercomputing Center (NESC)
            Bay City, Michigan

 The NESC is pleased to offer "Introduction to Gaussian: Theory and Practice." 
 This workshop will be presented in conjunction with Gaussian, Inc., on
 September 21-23, 1994 at the National Environmental Supercomputing Center of
 the EPA in Bay City, MI.

 The workshop is intended to offer an overview of the Gaussian package which
 could act as an introduction to electronic structure methods or as a review
 for researchers active in the field.  The workshop is open to researchers at
 all levels of academic, government and industrial research.

 Gaussian 92 is a user-friendly set of programs for performing ab initio and
 semi-empirical molecular orbital calculations.  This workshop provides an
 introduction to the underlying theory along with practical pointers. All of
 the ab initio methods available in Gaussian 92/DFT will be covered, along with
 discussion on choosing methods appropriate to the chemistry being studied.
 Additional topics will include estimating computer resource requirements and
 dealing with computational difficulties.

      Instructors:

        Dr. Michael J. Frisch               Lorentzian, Inc.
        Prof. H. Bernard Schlegel           Wayne State University
        Dr. Douglas J. Fox                  Gaussian, Inc.
        Dr. Krish Namboodiri                Martin Marietta/NESC

      Tentative Agenda Topics:

        Building Gaussian Input Decks
        Model Chemistries (basis sets, level of theory)
        SCF Methods (RHF/UHF/ROHF, GVB, MCSCF)
        Geometry Optimization Techniques
        Electron Correlation Methods
        Density Functional Theory Methods
        Excited States via CI Singlets
        Interpretation of Results and Molecular Properties
        Solvent Effects on Molecular Electronic Structure
        Gaussian Utilities
        Performance of Model Chemistries

 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 a class computer account,
 of limited allocation, on the NESC Cray and a workstation for use during the
 hands-on workshop sessions. Each workshop participant will also be provided a
 copy of the lecture notes, a copy of the Gaussian 92 User's Guide, and a copy
 of "Exploring Chemistry with Electronic Structure Methods: A Guide to Using
 Gaussian."
                         
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 APPLICATION PROCEDURE

 All applicants must submit the attached application form and a cover letter
 which briefly (one or two paragraphs) describes your current research and how
 participating in this workshop will enhance your research.  The cover letter
 should also include one or two sentences indicating your level of experience
 with computers. Seats are limited and the potential applicants are encouraged
 to send the application material ASAP.

 There is no course fee for this workshop but participants are responsible for
 all travel, lodging and meals.  Hotel and travel accommodation selections will
 be mailed to conference participants in due course.

 PLEASE RETURN YOUR APPLICATION MATERIALS TO:

       Dr. Krish Namboodiri
       Martin Marietta/NESC
       135 Washington Ave.
       Bay City, MI 48708 - 5845

 For more information, please contact Dr. Namboodiri at the NESC:

       Telephone:(517) 894-7600
       Fax:      (517)894-7676
       Email: [email-masked]

 DEADLINES:

     Receipt of Registration Materials:      August 15, 1994

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 APPLICATION FORM:

 Name:

 Affiliation:

 Address:

 Telephone:

 Facsimile:

 E-Mail Address:

 Nationality:

 Passport Number (for noncitizens):

 Are you a current NESC systems user?

 Machine and User Account Name:

 Please indicate your Research Standing (check one):

 Faculty _______    Postdoctorate _______   Graduate Student ______
 Undergraduate Student _______   University Research Staff _______
 University Non-Research Staff ______  Government _______
 Industrial  ______  Other ______

 Remember to include the cover letter with the additional information.

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 GAUSSIAN, INC.
 Carnegie Office Park
 Building 6
 Pittsburgh, PA 15106 USA
 
 PHONE  - 412-279-6700
 FAX    - 412-279-2118
 E-MAIL - [email-masked]

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 This notice is sent without warranty  of any kind, express or implied
 by Gaussian, Inc. or the EPA. Gaussian and Gaussian 92 are registered
 trademarks of Gaussian, Inc.
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