From EDGECOMK -8 at 8- QUCDN.QUEENSU.CA Mon Apr 18 17:29:36 1994 Received: from QUCDN.QueensU.CA for EDGECOMK : at : QUCDN.QUEENSU.CA by www.ccl.net (8.6.4/930601.1506) id RAA23620; Mon, 18 Apr 1994 17:17:23 -0400 Message-Id: <199404182117.RAA23620-0at0-www.ccl.net> Received: from QUCDN.QUEENSU.CA by QUCDN.QueensU.CA (IBM VM SMTP V2R2) with BSMTP id 6807; Mon, 18 Apr 94 17:17:20 EDT Received: from QUCDN.QUEENSU.CA (NJE origin EDGECOMK -x- at -x- QUCDN) by QUCDN.QUEENSU.CA (LMail V1.1d/1.7f) with RFC822 id 0934; Mon, 18 Apr 1994 17:17:19 -0400 Date: Mon, 18 Apr 1994 17:13 EDT From: EDGECOMK { *at * } QUCDN.QueensU.CA To: chemistry # - at - # ccl.net Subject: 2nd Cdn. Comp. Chem. Conf. Please find attached the revised 3rd notice for the C4. Hope to see you there! Take care. Ken Edgecombe Third Announcement (revised April 12, 1994) 2nd Canadian Computational Chemistry Conference Deuxieme Conference Canadienne en Chimie Computationelle Queen's University, Kingston, Ontario, Canada May 21-25, 1994 This is the third announcement of the 2nd CCCC. Bringing together Computational Chemists from academia, government, and industry from around the world, the CCCC consists of invited talks, contributed talks, and poster sessions. The program is divided into four general subject areas: Applications of Computational Chemistry: Biological, Chemical, Materials and Pharmaceutical Electronic Structure Computations: Density Functional Theory and Ab Initio Methods Collision and Dynamics Computations Current and Future Trends Plenary speakers: A. Bandrauk (Sherbrooke) Molecular Multiphoton Transitions: Computational Methods From Perturbative to Nonperturbative Regimes R. Bartlett (Florida) Excited States in Coupled-Cluster Theory: Valence, Rydberg and Core Excitations P. Brumer (Toronto) Phase Incoherent Laser Control of Molecular Photodissociation C. Bunge (U.N.A.M., Mexico) Large-Scale Atomic Configuration Interaction Calculations: Computer Programs and Applications E. Carter (U.C.L.A.) New ab initio Algorithms for Solving the Electronic and Geometric Structure Problems G.H.F. Diercksen (Max Planck Inst.) Intelligent Software: The OpenMol Project D.A. Dixon (Dupont) Density Functional Theory Predictions of Molecular Properties and Applications of Computational Chemistry to Atmospheric Chemistry M. Dupuis (IBM) Advances in Parallel Processing: Prospectives and Results P. Kollman (U.C.S.F.) Molecular Dynamics and Free Energy Perturbation Calculations on Complex Molecular Systems P. Mezey (Saskatchewan) High-Resolution Shape Analysis of Macromolecules G. Patey (U.B.C.) Ion Solvation Dynamics R. Poirier (M.U.N.) OSIPE: A Tool for Scientific Programming in FORTRAN D. Salahub (Montreal) Using Density Functional Theory and Other Tools to Model Complex Systems and Processes P. Saxe (Biosym) Force Fields and Massively Parallel Computers G. Scuseria (Rice) Density Functional and Hartree-Fock Theories Applied to Large Systems: The Mechanisms of Fullerene Annealing, Fragmentation and Window Opening J. Tirado-Rives (Yale) MD Simulations of Protein Dynamics and Unfolding R. Wyatt (Texas) Quantum Dynamical Studies of Energy Transfer in Molecules W. Yang (Duke) A Divide-and-Conquer Method and Its Applications to Large Molecules M. Zerner (Florida) Solvent Effects in Quantum Chemistry: Estimating the Effects of Dispersion on Electronic Spectra T. Ziegler (Calgary) Density Functional Theory as a Practical Tool in Studies of Molecular Energetics and Dynamics As well, there will be hardware and software vendor exhibits. Confirmed corporate participants (to date) Canadian Airlines IBM Chapman & Hall Molecular Simulations Cray Research Silicon Graphics DEC Sun Microsystems High Performance Computing Travel: Kingston is accessible directly by bus and train from Montreal, Ottawa, and Toronto and by plane directly from Montreal and Toronto. Canadian Airlines International and their regional partners have been selected as "Official" Airlines for our conference. A 15% discount off the full economy fare will be given when you travel within North America with Canadian to our conference. Also, advance purchase may offer even greater savings. Contact Canadian Airlines' Conventionair office toll-free at 1-800-665-5554 advising them you will be attending the CCCC, on May 21, 1994 in Kingston. Be sure to give our file registration number which is 5503. If booking through a local travel agent make sure they register your booking with the Canadian Airlines' Conventionair Office. Also, members of Canadian Plus will receive 1,000 CP Plus Bonus points for this event along with their mileage points. International delegates (non-North American) may also make use of the Canadian Airlines International Sales Office and coordinate with Canadian Airlines' Conventionair Services. Contact the conference organizers for the applicable international phone numbers. On site registration begins at 2:00PM Sat. May 21, 1994. Scientific sessions end at noon on Wed. May 25, with lunch to follow. Registration: To encourage participation in the conference by undergraduate and graduate students, lower conference fees for these students have been set: Regular Student Plan A: $380.00 (CDN) $330.00 (CDN) Includes accommodation (4 nights), 4 breakfasts, 4 lunches, coffee breaks, and wine and cheese socials. The accommodation consists of a single room in the university residence. Regular Student Plan B: $220.00 (CDN) $190.00 (CDN) Includes 4 lunches, coffee breaks, and wine and cheese socials. Alternate accommodation and restaurants are within walking distance of the conference site. A list of alternate accommodation is available for Plan B registrants. Due to numerous inquiries, spousal and group accomodation rates have been arranged. Contact Ken Edgecombe (see below) for details. Registration fees include appropriate taxes such as the federal Goods and Services Tax (GST). GST Registration Number 107 868 705. To register, send cheque or money order payable to 2nd Canadian Computational Chemistry Conference along with registration information to: Dr. Ken Edgecombe Dept. of Chemistry cccc94 # - at - # qucdn.queensu.ca Queen's University Kingston, Ontario FAX (613) 545-6669 Canada K7L 3N6 Organizing Committee for the 2nd CCCC: A. D. Becke, K. E. Edgecombe, V. H. Smith, Jr., D. M. Wardlaw, D. F. Weaver, Department of Chemistry, Queen's University Registration Form: -------------------------------------- Name: .............................................................. Address: ........................................................... ........................................................... ........................................................... e-mail: ............................................................ Phone: ........................ FAX: .............................. Status: __ regular __ student __ contributed poster __ attend only __ payment enclosed __ payment sent separately Registration Selection: Plan A:__ Plan B:__ Subject area: ...................................................... Title: ............................................................. ............................................................. ............................................................. Please note that the abstract deadline for inclusion in the book of abstracts has passed. Unless production delays cause a revision of our schedule, abstracts received after today will be distributed loose at the conference. Abstracts should be submitted in camera ready form and limited to one page. If submitted by e-mail please use standard ASCII characters only.