| From: |
Andrzej Sokalski <COMPCHEM%PLWRTU11.BITNET "-at-" phem3.acs.o |
| Date: |
Tue, 19 Oct 1993 09:47:20 +0100 (CET) |
| Subject: |
in June 94'nce COMPUTERS IN CHEMISTRY in Wroclaw, Poland |
FIRST ANNOUNCEMENT
3-rd Conference
COMPUTERS IN CHEMISTRY '94 (June 23-26, 1994)
covering sessions
on
CHEMOMETRICS IN ANALYTICAL CHEMISTRY
COMPUTERS IN CHEMICAL TECHNOLOGY AND CHEMICAL ENGINEERING
COMPUTERS IN CHEMICAL EDUCATION
MOLECULAR GRAPHICS
EXPERT SYSTEMS AND DATABASES
and other related topics
including
Workshop on
COMPUTATIONAL METHODS FOR LARGE MOLECULAR SYSTEMS (June 25 - 26 1994)
(satellite event of 8th International Congress of Quantum Chemistry
in Prag, Czech Republic)
Organized by
Technical University of Wroclaw
University of Wroclaw
Location: The conference will be held in Wroclaw, major city in
southwestern Poland (Lower Silesia). Wroclaw is connected by
direct flights with Warsaw, Frankfurt and Dsseldorf as well as
by train and bus transportation with other major European cities.
About the conference
Previous conferences COMPUTERS IN CHEMISTRY were held in Wroclaw
in 1986 and 1988. The conference in 1994 will cover all aspects of
computer applications in chemistry and related sciences focusing
on review of recent software and hardware developments in this
rapidly expanding interdisciplinary field as well as teaching
computational chemistry. Student presentations are encouraged.
Commercial hardware and software presentations are being planned
too.
Proceedings : Abstracts of all contributions will be printed in
conference materials.
Original scientific contributions will be published in special
issue of international journal COMPUTERS & CHEMISTRY. The
manuscripts should be submitted during first day of the conference
at the registration desk. The manuscripts will follow the regular
editorial and refereeing procedure. COMPUTERS & CHEMISTRY
publishes papers on theoretical and experimental research
representing developments in the application of information
sciences, particularly computers and computational methods, to
diverse problems addressed in all branches of chemistry. Besides
research papers also application/software notes or software
reviews are acceptable for publication in COMPUTERS & CHEMISTRY
******************************************************************
WORKSHOP ON COMPUTATIONAL METHODS FOR LARGE MOLECULAR SYSTEMS
Wroclaw, June 25-26, 1994
part of the 3-rd conference "COMPUTERS IN CHEMISTRY"
and
Satellite Symposium of 8th International Congress of Quantum
Chemistry (possible microbus transportation from Prague to
Wroclaw on June 24, 1994)
This workshop organized in collaboration with National
Institute of Standards and Technology and Center for Advanced
Research in Biotechnology in Gaithersburg, MD, USA is devoted to
review recent progress in development of quantum chemical methods
for modelling large molecular systems. Many chemical processes
important for biotechnology or materials science can not be
modelled now at molecular level due to the extensive size of
molecular systems involved or unsufficient precision of
contemporary computational methods. Therefore development of new
methods and techniques extending existing boundaries for modeling
may open new avenues for rational design of new biocatalysts and
new materials with desired properties. Bringing together several
leading scientists having important contributions in this field
should open the possibility to initiate or expand ongoing
collaborations, create future joint projects including academic
and commercial sector and introduce graduate students into this
rapidly growing field. Planned lectures will cover among others
following topics: model potentials and reaction fields,
applications of local density functionals in modelling chemical
reactions, direct SCF, MP2 methods, molecular frozen fragment
approach, treatment of relativistic effects, multicenter multipole
expansions, design of optimal catalysts, modeling protein
folding etc.
Refereed contributions will be published in special issue of
international journal COMPUTERS & CHEMISTRY.
Preliminary registration form:
[ ] I wish to receive the Second Circular
[ ] I intend to attend the entire Conference (June 23-26, 1994)
[ ] I intend to attend the workshop only (June 25-26, 1994)
[ ] I wish to present an oral contribution
[ ] I wish to present a poster
[ ] I wish to demonstrate a program
name of the hardware/software platform.........................
[ ] I plan to submit a manuscript for publication in
Computers & Chemistry
Tentative Title of the Contribution:
..................................................................
..................................................................
..................................................................
First name.....................
Last Name .....................
Title..........................
Institution...............................................
..................................................................
Postal address for correspondence
.................................................................
..................................................................
Electronic mail:
FAX
Telephone
Date
Please respond until November 30, 1993 to :
COMPUTERS IN CHEMISTRY
W. Andrzej Sokalski - Conference Secretary
Wroclaw Technical University I-30, room 314 A-3
Wyb. Wyspianskiego 27, 50-370 WROCLAW, POLAND
e-mail: COMPCHEM - at - PLWRTU11.BITNET
FAX (+48)-(71)-223664
tel. (+48)-(71)-202894, 202457
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