From chemistry-request@ccl.net Sun Jan 5 16:24:10 1992 Date: Sun, 05 Jan 92 22:38:39 +02 From: "Daniel P. Vercauteren" To: chemistry@ccl.net Status: R ************************************************************************ * * * Educative Session in Large Scale Computation for Quantum * * Physics and Chemistry * * * * Programme Gouvernemental en Technologie de l'Information * * Calcul de Puissance en Chimie et Physique Quantiques * * * * Facultes Universitaires Notre-Dame de la Paix, Namur, Belgium * * Namur Scientific Computing Facility Center * * J.-M. Andre and J.-P. Vigneron * * * ************************************************************************ First 1992 Announcement Scientific Program: Quantum physics simulations are one of the most demanding fields for supercomputing power. Ab initio electronic structure, molecu- lar dynamics, geometry optimization of molecules, crystals, sur- faces, or point defects are indeed a vast scientific area, where vectorization and parallel computing are of paramount importance. The session organized under the auspices of The Belgian Policy Programming and The National Foundation for Scientific Research of Belgium in the field of Computational Chemistry and Physics will continue this year, on the basis of the annual Namur-SCF Scientific Computing Facility meeting. For the fifth time in 1992, this conference will gather scientists interested in the development of computational codes based on the fundamental algorithms of quantum physics and chemistry. Again as for the previous years, the SCF user group meeting will be extended to allow for more exhaustive and specialized lectures. The 1992 session will be dedicated to Prof. Dr. Enrico Clementi at the occasion of his Sixtieth Birthday. Accordingly, the general thema of 1992 is: "Large Scale Computations in Quantum Chemistry and Physics: Present Status and Perspectives". The program of the whole year is tentatively the following: 1. Specialized Lectures: FUNDP, Namur ------------------------------------- J.L. Encarnacao, Darmstadt Advanced Topics in Computer Graphics (6 hours) March 11,12,13, 1992: from 16h00 to 18h00 in auditorium CH2 - Computer Graphics Systems - Computer Graphics Programming - Imaging Techniques - Graphics Modeling - Simulation and Animation Techniques - Scientific Visualization 2. Advanced Lectures: FUNDP, Namur ---------------------------------- June 1,2, 1992: auditorium CH3 P.O. Lowdin, Uppsala & Gainesville Mathematics, Numerical Analysis, and Large Scale Computations (3 hours) R. Zahradnik, Praha Quantum Chemistry and the Calculation of Molecular Interactions (3 hours) 3. Fifth SCF User's Group Meeting: FUNDP, Namur ----------------------------------------------- June 3,4,5, 1992: auditorium CH3 J.-M. Lehn, Strasbourg Molecular Electronics E. Clementi, Cagliari & Strasbourg Forty Years of Computational Chemistry: from ATOMSCF to MOTECC M. Kasha, Tallahassee Challenges to Computational Quantum Chemistry from Contemporary Advances in Polyatomic Molecular Electronic Spectroscopy A.D. MacLean, Almaden Progress on the ARCHEM Interface for Computational Chemistry Codes: an Invitation to Participate C.C.J. Roothaan, Chicago Hardware and Software Design for High Performance Computing in Large Scale Scientific Applications A. Veillard, Strasbourg Large Scale Computations of Organometallics W. Kolos, Warsaw Present Status of Computations for the Hydrogen Molecule P. Siegbahn, Stockholm Transition Metal Atoms, Complexes, Clusters, and Surfaces M. Mareschal, Bruxelles The Molecular Simulation Approach to Complex Hydrodynamics B. Roos, Lund The Multiconfigurational Approach: CASSCF and Second Order Perturbation Theory J.-M. Andre, Namur Computational Approach to the Polymeric State M. Parrinello, Zurich Ab Initio Molecular Dynamics Simulation H.A. Scheraga, Ithaca The Multiple Minima Problem in Protein Folding P.S. Bagus, Almaden Cluster Models for the Surface Phenomena: Analysis and Consequences of Chemical Bonding For further information, please contact: - Prof. J.-M. Andre, Facultes Universitaires Notre-Dame de la Paix (FUNDP), Laboratoire de Chimie Theorique Appliquee (CTA), 61, rue de Bruxelles, B-5000 Namur, Belgium Tel.: +32 (81) 724553, Fax: +32 (81) 724530 E-mail: ANDRE at SCF.FUNDP.AC.BE - Prof. J.-P. Vigneron, Facultes Universitaires Notre-Dame de la Paix (FUNDP), Laboratoire de Physique du Solide (LPS), 61, rue de Bruxelles, B-5000 Namur, Belgium Tel.: +32 (81) 724711, Fax: +32 (81) 230391 E-mail: VIGNERON at SCF.FUNDP.AC.BE - Prof. D.P. Vercauteren, Facultes Universitaires Notre-Dame de la Paix (FUNDP), Laboratoire de Physico Chimie Informatique (PCI), 61, rue de Bruxelles, B-5000 Namur, Belgium Tel.: +32 (81) 724534, Fax: +32 (81) 724530 E-mail: VERCAU at SCF.FUNDP.AC.BE For registration, please send forms to: - Dr. M.-Cl. Andre, Facultes Universitaires Notre-Dame de la Paix (FUNDP), Laboratoire de Chimie Theorique Appliquee (CTA), 61, rue de Bruxelles, B-5000 Namur, Belgium Tel.: +32 (81) 724553, Fax: +32 (81) 724530 E-mail: MCANDRE at SCF.FUNDP.AC.BE Registration Form for Prof. Encarnacao Specialized Lectures on Graphics ======================================================================= March 11-13, 1992, 16h00 to 18h00, Auditorium CH2 Last name: ............................................................ First name: ........................................................... Title: ................................................................ Address: .............................................................. .............................................................. .............................................................. .............................................................. Telephone: ............................................................ Fax: .................................................................. Telex: ................................................................ E-mail: ............................................................... Preliminary Registration Form for Advanced Lectures and 5th SCF Meeting ======================================================================= June 1-5, 1992, Auditorium CH3 I wish to receive the second circular: ................................ I will probably attend the Meeting: ................................... I will probably present a poster: ..................................... I wish to receive hotel informations: ................................. Last name: ............................................................ First name: ........................................................... Title: ................................................................ Address: .............................................................. .............................................................. .............................................................. .............................................................. Telephone: ............................................................ Fax: .................................................................. Telex: ................................................................ E-mail: ............................................................... Acknowledge-To: