From:	EDGECOMK { *at * } QUCDN.QueensU.CA
Date:	Sat, 12 Mar 1994 16:54 EST
Subject:	2nd Cdn. Comput. Chem. Conf.

Please find attached the 3rd announcement for the CCCC.

                Third Announcement (March 10, 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)
          Augmented Lagrangian Methods in Designing Optimum Laser
               Pulses for the Control of Laser Induced Processes
     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
     S. Fraga (Alberta)
          To be announced
     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              Silicon Graphics
          Cray Research               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: .............................................................
       .............................................................
       .............................................................
               ABSTRACT DEADLINE: April 1, 1994

Abstracts should be submitted in camera ready form and limited to one
page.  If submitted by e-mail please use standard ASCII characters only.





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