NATO Advanced Study Institute
Please circulate ....
Positions and financial support covering the costs at the institute
are still available for qualified applicants from NATO countries.
NATO Advanced Study Institute
Problem Solving in
COMPUTATIONAL MOLECULAR SCIENCE
Molecules in Different Environments
Bad Windsheim, Germany
12th - 22nd August, 1996
GHF Diercksen, Max-Planck-Institut fur Astrophysik, Garching
S. Wilson, Rutherford Appleton Laboratory, Oxon
This NATO Advanced Study Institute aims to provide researchers in the molecular
sciences with the necessary background to make intelligent use of the
computational methods available by performing reliable calculations of an
appropriate accuracy and making a considered interpretation of the data so
obtained. In pursuit of this objective, the traditional methodology-orientated
approach to the subject will be abandoned in favour of applications-orientated
lecture courses. The lectures will be of two types: (i) descriptions of recipes
for practical investigations, (ii) reviews of the physical content of tractable
computational methods. The lecture courses describing recipes for attacking
particular problems will cover:-
* Fine and hyperfine structure; spin properties of molecules
* Rydberg spectra of atoms, molecules and clusters
* Electronic spectra of large molecules
* Molecular properties and spectra in solution
* Heterogeneous catalysis
* Chemical reactions on surfaces
* Nuclear magnetic resonance studies
The lecture courses reviewing the physical content of computational methods
* Molecular properties in different environments
* Ab initio quantum chemical methods
* Semi-empirical quantum chemical methods
* Relativistic quantum chemical methods
* Models for simulating molecular properties in condensed systems
Substantial periods will be made available for discussions and informal
since these activities have been found to be an invaluable adjunct to the
lecture courses at previous Advanced Study Institute in this area.
The faculty of the Advanced Study Institute will include:-
* C.R.A. CATLOW, The Royal Institution, London
* G.H.F. DIERCKSEN, Max-Planck-Institut fur Astrophysik, Garching
* J. GAUSS, Universitat Karlsruhe
* J. KARWOWSKI, Nicholas Copernicus University, Torun
* M. KARELSON, University of Tartu
* C. MARIAN, Universitat Bonn
* B.T. SUTCLIFFE, University of York
* S. WILSON, Rutherford Appleton Laboratory
* M.C. ZERNER, University of Florida
Accommodation has been arranged at the Kongress_Hotel Residenz, Bad Windsheim.
The cost of full board and accommodation in shared double rooms for the entire
Advanced Study Instiute is DM1430 per person. For a single room the cost is DM
Bad Windsheim is a small town located about 55 km from Nurnberg and
reached from the international airport at Nurnberg.
Participants who plan to be accompanied by their spouse or families should
arrange additional accommodation directly with Kongress-Hotel Residenz,
Erkenbrechtallee, D-8532 Bad Windsheim (Tel: 0 98 41/91-1; Fax: 0 98 41 9 16
All applications and correspondence should be addresses to Dr. S. Wilson,
Rutherford Appleton Laboratory, Chilton, Oxfordshire OX11 0QX, U.K.; Fax
+44-1235-446626; e-mail: nato - at - rl.ac.uk;
Since attendance is limited to about 65 persons, early application is
and should in no case be received later than 31st May, 1996. Applications can
be made on the form below. In the case of junior scientists and students at
least one letter of recommendation is required.
Funds are available to cover part of the subsistence expenses of the
participants from NATO Countries and from NATO Co-operation Partner Countries.
It is anticipated that participants should be able to obtain grants covering
their travel expenses and part of their living expenses from their
There is no registration fee but a deposit of DM100 will be charged in advance
on acceptance. Cheques should be made payable to "NATO ASI, Bad Windsheim.
U.S. participants may be eligible for travel awards from the National Science
Foundation. "To be eligible for a travel award, an individual must be a
States citizen or permanent resident alien, and must not have earned a Ph.D.
earlier than three years prior to the ASI. In addition, attendance at the
Institute must constitute the nominee's primary purpose for travel to Europe,
and nominees must use a U.S. flag carrier when such a service is
Successful applicants will be informed by July, 1996.
Field of research
Does your participation depend on support from NATO funds ? Yes/No
If "Yes", indicate minimum support required
Applications should be sent, as soon as possible to nato - at - rl.ac.uk