Below please find the first announcement for a conference that may be of interest to some
members of the list.
"Odyssey of Mathematical and Computational Aspects of Molecular Electronic Structure
June 2-5, 2008.
At the beautiful Campus Saint-Jean, University of Alberta, Edmonton, Canada.
In June 2008, the University of Alberta's Campus Saint-Jean will host an interdisciplinary
international conference on the application of advanced mathematical and computational
techniques as they interface with theoretical chemistry. Invitations will be extended worldwide to
mathematicians, chemists, and physicists as well as to researchers in other related disciplines.
Topics of the Conference:
1. Extrapolation methods and numerical quadrature. Integral transforms.
2. Extrapolation methods in the context of linear algebra problems.
3. Mathematical contributions to quantum chemistry.
4. Molecular multicenter integral calculations using exponential type functions.
5. Molecular modeling and high performance computing in chemistry.
6. Computational methods in atomic and molecular physics.
7. The density functional theory of atomic and molecular structure.
8. Mathematics and molecular electronic structure theory.
9. Symbolic programming language for molecular electronic structure calculations.
10. Treatment of inter-electronic correlation.
11. Explicitly correlated wave functions.
12. Extrapolation of electronic structure calculations to the basis set limit.
13. Quantum similarity measurements and computational medicinal chemistry for drug
Highly qualified international and national keynote speakers will shed light on the impact of
mathematics on (theoretical) chemistry and also on the fact that the treatment of chemical
problems can be a valuable source of inspiration for mathematicians. Thus far, the confirmed
invited speakers include:
1. Michael Barnett, Department of Chemistry, Princeton University.
2. Claude Brezinski, Department of Mathematics, Université de Lille 1.
3. Henry Gray, Department of Statistical Science, Southern Methodist University.
4. Paul Mezey, Department of Chemistry and Department of Physics and Physical Oceanography
Memorial University of Newfoundland.
5. Marcel Nooijen, Chemistry department, University of Waterloo.
6. Joseph Paldus, Professor, Applied Mathematics, University of Waterloo.
7. Ernst Joachim Weniger, Institute for Physical and Theoretical Chemistry, University of
It is the primary intention of this conference to present mathematical and computational
techniques that are not yet so very well known, but which nevertheless will have a considerable
impact on the way we will conduct research in (theoretical) chemistry. The conference will also
serve as a kind of "états généraux" on the state of inter-disciplinary integration of Mathematics
with other disciplines and it should provide directions for future research programs and
The abstract submission and registration will be announced soon.
Campus Saint-Jean, University of Alberta
8406, 91 Street
Edmonton (Alberta) T6C 4G9 Canada
E-mail: [log in to unmask]
Phone number: + 1 (780) 485 8631
Fax number: + 1 (780) 465 8760
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