From chemistry-request@ccl.net Tue Jan 29 05:43:28 1991
Date:         Tue, 29 Jan 91 10:28:52 MEZ
From: "H. Lischka" <A8441DAA%AWIUNI11.BITNET@OHSTVMA.IRCC.OHIO-STATE.EDU>
Subject:      school in parallel computing
To: computational chemistry <chemistry@ccl.net>
Status: RO

Parallel Computing in Computational Chemistry and Physics

September 16 - 27, 1991 in Vienna, Austria
by Hans Lischka, University of Vienna, Austria

Parallel computing is one of the most challenging tasks for compu-
tational chemistry and physics for the next decade. Even though the
availability of computer power on sequential computers is still increasing
significantly it is clear that a real breakthrough capable of opening new
dimensions for applications can only be achieved by parallel computing.
Today, developments in hardware and software tools have reached the
stage of transition from the pioneering times of parallel computing to the
period of routine applications. However, the conversion of existing
sequential programs and the design of new methods for parallel
computers is by far a nontrivial task. A new thinking is necessary which
is basically different from the sequential approach to which most of us
are accustomed.
In September of this year a school will be organized which is devoted to
the introduction into the world of parallel computing and its new
concepts. We plan the following sections and lectures:

Part I

1. Introduction into parallel computing
2. Overview on parallel computer architectures and on available hard-
and software
3. Software tools
4. Basic linear algebra applications
5. Practical exercises on various parallel machines

Part II

Applications in chemistry and physics with emphasis on the following
fields:
1. Molecular Quantum Chemistry
2. Molecular Dynamics
3. Solid State Chemistry and Physics
4. Collision Theory

Each participant will have ample possibility to work with a variety of
parallel computers (like a Sequent-Balance, an Alliant FX-2800, an Intel
iPSC, a Cray-YMP and an IBM 3090).
The school will be organized in cooperation with colleagues from the
Argonne National Laboratory (Theoretical Chemistry Group and Ad-
vanced Computing Research Facility), from the ACPC (Austrian Center
for Parallel Computation) and from the Vienna University Computer
Center.

If you are interested in attending our school please contact

Hans Lischka
Institut fuer Theoretische Chemie
Universitaet Wien
Waehringerstr. 17
A-1090 Wien, Austria

Tel.: +43-1-436141-75
Fax:  +43-1-4028525
E-Mail: Bitnet A8441DAA@AWIUNI11

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