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From: rek@theory.TC.Cornell.EDU (Ray Kujawski)
Newsgroups: comp.sys.super,sci.chem,sci.physics
Subject: Density Functional Theory Workshop
Date: 14 Jul 92 17:59:19 GMT


   Cornell Theory Center / Cornell National Supercomputer Facility

            Density Functional Theory: Hands-on Workshop

                       September 8 - 12, 1992

The Cornell Theory Center will conduct a one-week hands-on workshop
on density functional theory and methods from Tuesday September 8
through Saturday, September 12, 1992.  The workshop, which will be
geared toward computational physicists, chemists, and scientists in
related fields, will focus on the electronic structure of both
molecules and extended systems such as solids.  Three density
functional packages will be featured.

This workshop will make density functional methods available to a
larger range of scientists.  Quantum chemistry packages, such as
GAUSSIAN and HONDO, are widely used by researchers who are not
experts in quantum chemistry methods.  These packages served to make
the methods of quantum chemistry accessible to experimentalists and
theorists working in other fields.  As Density Functional Theory
(DFT) packages become available, the use of DFT methods is expected
to increase, particularly by scientists studying large systems.

There will be four components to the workshop:

o Introductory Lectures-- These will introduce participants to
  the basic ideas of the density functional method, its range of
  applicability, and its strengths and limitations.

o Method-Specific Lectures-- Lectures that describe the capabilities
  and the computational methods used in the following three programs:
  a) Car-Parinello, b) CORNING and c) DMOL.  The first two treat
  extended systems, although they can also be used for molecules.
  DMOL is designed for the study of molecular systems.  To the
  extent possible, these will be taught by the authors of the
  programs.

o Research seminars-- The wide range of applications of DFT, as well
  as recent methodological developments, will be the focus of an
  entire day of research talks given by some of the foremost
  authorities in the field, including: Dr.  Michael Schluter (Bell
  Laboratories); Professor Karin Rabe (Yale University); Dr.  Detlef
  Hohl (NCSA); Dr.  Bernard Delley (Paul Scherrer Institut, Zurich);
  Dr.  Douglas Allan (Corning Inc.); and Professor Michael Teter
  (Cornell University).
  These seminars are open to the public.

o Hands-On Sessions-- Most of the afternoons will be devoted to hands-
  on sessions on IBM RISC System/6000 workstations.  The workshop
  will provide exercises that illustrate the most important features
  of each of the programs, and also provide assistance to
  participants in implementing their own research projects.  The
  final day of the workshop, Saturday September 12, is an optional
  day with consulting expertise available for continued work with
  the packages.  This workshop will be limited to 20 participants
  and will be held in the training facility of the Engineering and
  Theory Center building.

The workshop is aimed primarily at graduate students, post-doctoral
fellows and other researchers who are not experts in density
functional methods, but whose research may profit from the ability
to perform density functional calculations.  It will also be of
interest to corporate participants and computer support personnel
interested in providing their users with a similar capability for
performing density functional computations.

To Apply

Registration fees are outlined in the form below.  Contingent upon
availability of funds, support may be available to help meet
participant housing and travel expenses.  If you require further
information on any aspect of the workshop, please contact Donna
Smith (address below).

To apply, please return the completed registration form along with
the appropriate registration fee (checks payable to Cornell
University) postmarked by August 3, 1992.  Applications will be
accepted after this date if openings remain.  Cornell applicants may
charge their registration fees to the appropriate Cornell University
account number.  Applications which do not include payment cannot be
accepted.  Applicants will receive notification of their
participation by August 17, 1992.

Attendees are responsible for their own travel, meals, and lodging
arrangements.  Paid parking is available one block from the training
facility.  Blocks of rooms have been reserved for this workshop at
the Collegetown Motor Lodge, located three blocks from the training
facility, at 312 College Avenue, Ithaca, NY, 14850, 607-273-3542,
$56-$75 per night.  The rooms will be held until August 7, 1992.
Please mention this workshop when making your reservation.
Commercial airport limousine service is also available.

Send registration form and fee to:
        Donna Smith
        Conference Coordinator
        Cornell Theory Center
        422 Engineering and Theory Center Building
        Ithaca, New York 14853-3801
          (607) 254-8614 phone
          (607) 254-8888 fax
          donna@theory.tc.cornell.edu

~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

Registration Form
Density Functional Theory Workshop
September 8 - 12, 1992


Name:

Institution:

Address:

Telephone:

Preferred Electronic Address:

CNSF userid (if any):

Academic Discipline:

Any special needs? (diet, mobility impaired)

Status (check one):
__Undergraduate Student
__Graduate Student
__Faculty
__Research Staff
__Other Staff
__Corporate
__Other (explain)

How much experience do you have with UNIX?
___none ___a little  ___some  ___fair amount  ___much

What are your present research interests?

How will attending this workshop help you in your work?

Workshop Registration Fees:
              University: $100          __________
              CRI Member: $250          __________
              Corporate:  $400          __________

Check for _____ (payable to Cornell University) is attached
 - or -
Charge to Cornell account number ____________

~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
-- 
Ray Kujawski <rek@theory.tc.cornell.edu>
Technical Consultant
Cornell National Supercomputer Facility

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