Subject: Gaussian Workshop at Barcelona on 30-31 May

From: "Alicia Martinez Puebla" <[email-masked]>
Date: Fri, 8 Mar 1996 12:56:07 +0100

With the sponsoring of Cray Research, Inc. Spain,
 Centre de Computacio i Comunicacions de Catalunya (C4)
 and Universitat de Barcelona announce

 INTRODUCTION TO GAUSSIAN:  THEORY AND PRACTICE

 Date: May 30 - 31

 Location: Centre de Supercomputacio de Catalunya (CESCA)

 Cray Research Spain is pleased to sponsor "Introduction to Gaussian:
 Theory and Practice."  The workshop will cover the full range of methods
 available in the Gaussian package with emphasis on new methods and
 features which make Gaussian applicable to an ever widening spectrum of
 questions.

 The workshop is structured to provide an introduction to electronic
 structure theory as well as a hands-on review for researchers, students,
 and scientists in industry.  The workshop will have emphasis on
 performance and utilization of Cray Research, Inc. supercomputers.
 In addition, practical strategies for doing CASSCF calculations will be
 presented.  Prof. Robb will discuss new CASSCF features along with some
 practical examples for planning and executing a CASSCF study.
 The language of the workshop is English.

      Instructors:

        Prof. Michael Robb                  King's College London
        Dr. Carlos Sosa                     Cray Research, Inc.
        Prof. Juan J. Novoa                 Universitat de Barcelona
        Mrs. Alicia Martinez                CESCA
        Dr. Jose L. Andres                  Universitat de Girona

      Tentative Agenda Topics:

        Introduction to Electronic Structure Theory

        Building Gaussian Input Decks
        Simple Model Chemistries
        SCF Methods (RHF/UHF/ROHF, GVB, MCSCF)
        Geometry Optimization Techniques
        Electron Correlation Methods
        Density Functional Theory Methods
        Thermochemistry via Model Chemistries
        Interpretation of Results and Molecular Properties
        Solvent Effects on Molecular Electronic Structure
        Gaussian Utilities
        Gaussian Performance on Cray Research Supercomputers &
        Estimating Resource Requirements

      The workshop will run from 9:00 AM to 1:00 PM and from 3:00 PM to
      7:00 PM.  Tentatively, lectures will run from 9:00 AM to 11:00 AM
      and 3:00 PM to 5:00 PM and Labs from 11:10 PM to 1:00 PM and from
      5:10 to 7:00 PM.  There will be 10 minutes recess between lectures.

 Additional hands-on sessions will be available. Workshop participants
 will be provided with access to the Cray to complete exercises,
 experiment and/or conduct short research topics. Each workshop
 participant will also be provided a copy of the Gaussian 94 User's
 Reference and a copy of Exploring Chemistry with Electronic Structure
 Methods.

 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 it. The
 cover letter should also include one or two sentences indicating your
 level of experience with computers. Seats are limited (max. 20) and
 the potential applicants are encouraged to send the application material
 ASAP.

 Costs:

 Workshop registration:

    Academic - 17000 ptas        Commercial/Private - 25000 ptas
    Students may apply for the 3 scholarships that will be awarded

 Hotel accomodations: A list of hotel accomodations in the vicinity
 of the CESCA facility will be made available to all registrants.
 Room reservations will be the responsibility of each participant.

 Meals:  Meals will be the responsibility of each participant.

 PLEASE RETURN YOUR APPLICATION MATERIALS TO:

        [email-masked]

       (From where additional information can also be obtained)

 DEADLINES:

        Receipt of Registration Materials:      May 1, 1996

 -----------------------------------------------------------------------

 APPLICATION FORM:

 Name:

 Affiliation:

 Address:

 Telephone:

 Facsimile:

 E-Mail Address:

 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.