Symposium on  new directions in chemical modeling


A symposium organized by the physical/theoretical section of CIC in
connecttion with : 
 
 83th CSC Conference, May 28 to 31 2000, Calgary, Alberta, Canada 
 
 Dead-Line for abstracts February 28
Dead-Line for low fee registration April 17

Sponsors :
 
 
 
  Tentative schedule

 
List of speakers to date :
Invited Speakers 
 
Tentative title of talk  Comments
Gustavo Arteca 
Department of Chemistry 
Laurentian University 
Ramsey Lake Road 
Sudbury, Ontario 
P3E 2C6 

GUSTAVO@NICKEL.LAURENTIAN.CA 
  www 

John Gunn 
Department of Chemistry 
Universite de Montreal 
C.P. 6128, Succ. Centre-ville 
Montreal, Quebec 
H3C 3J7 
gunnj@CERCA.UMontreal.CA  
  www 
Recent Advances in Protein Structure  
Prediction
Peter Kusalik 
Department of Chemistry 
Dalhousie University 
Halifax, Nova Scotia 
B3H 4J3 
kusalik@is.dal.ca  
  www 
Tucker Carrington Jr.                        |Departement de chimie                        |Universite de Montreal 
Case postale 6128                            |succursale Centre-ville                       Montreal (Quebec) H3C 3J7                    Canada 

Tucker.Carrington@umontreal.ca 
 
 www 
 

An inexact spectral transform method for calculating exact energy  
levels, wavefunctions  
and resonance lifetimes.
 Mark Thachuk 
Department of Chemistry 
University of British Columbia 
2036 Main Mall 
Vancouver, BC 
V6T 1Z1 
thachuk@thachuk.chem.ubc.ca  
 www 
 
Alignments and Distribution Functions of Drifting Gas-Phase Ions
John Tse 
National Research Council of Canada 
Steacie Institute of Molecular Sciences 
100 Sussex Drive 
Ottawa, Ontario 
K1A 0R6 
tse@ned1.sims.nrc.ca  
 
Rational design of High Efficiency Thermoelectric Materials - A Case Study
David Wardlaw 
Department of Chemistry 
Queen's University 
Kingston, Ontario 
K7L 3N6 
 david@chem.queensu.ca 
  www 
Advances in transition state theory for barrierless reactions: Formal 
developments, applications, and software.
Alain St-Amant 
Department of Chemistry 
University of Ottawa 
550 Cumberland 
Ottawa, Ontario 
K1N 6N5 
st-amant@theory.chem.uottawa.ca  
  www 
Marc Roussel 
Department of Chemistry 
University of Lethbridge 
4401 University Dr. 
Lethbridge, Alberta 
T1K 3M4 
 
 roussel@uleth.ca 
  www 
Delay-differential equations in chemical modeling
Gilles H. Peslherbe 
Department of Chemistry and Biochemistry 
Concordia University 
1455 De Maisonneuve Blvd. Quest 
Montreal, Quebec 
H3G 1M8 

ghp@alcor.concordia.ca  
 
  www 

Ray Kapral 
Department of Chemistry 
University of Toronto 
80 St. George Street 
Toronto, Ontario 
M5S 1A1 
rkapral@gatto.chem.utoronto.ca  
 www 
 
Noham Weinberg 
Department of Chemistry 
Simon Fraser University 
8888 University Dr. 
Burnaby, BC 
V5A 1S6 

weinberg@sfu.ca  
 
 

Rene Fournier 
Department of Chemistry 
York University 
4700 Keele Street 
North York, Ontario 
M3J 1P3 
renef@yorku.ca  
 www 
 
B. Garrett 
Pacific Northwest National Laboratory 
P.O. Box 999 
Richland, WA 
99352 
bruce.garrett@pnl.gov  
 
 
 
 Tom K. Woo 
Department of Chemistry 
University of Calgary 
Calgary, Alberta, 
Canada T2N 1N4 
 tkwoo@ucalgary.ca 
  www 
Pierre-Nicholas Roy, 
Department of Chemistry, University of Alberta ,  Edmonton, AB, Canada, T6G 2G2 
pn.roy@ualberta.ca  
www 
Joshua Wilkie, Ph.D  Assistant Professor 
 Department of Chemistry 
 Simon Fraser University 
8888 University Drive 
Burnaby, British Columbia 
Canada, V5A 1S6 
 wilkie@sfu.ca 
 www 
 
Abstract submission

    The abstract deadline for the Sympoisum on "new directions in chemical modeling"
is February 28, 2000.

    Please sign onto the web site http://www.chem.ucalgary.ca/csc2000/callfor.htm
<http://www.chem.ucalgary.ca/csc2000/callfor.htm>  for information on how to
proceed.

    This conference has had considerable success using the Hermes
software package for preparing, submitting and editing abstracts.  Please
follow the instructions carefully.  It works best if you use a PC; us poor
Macintosh users are at a disadvantage.

 Here are some hints.

1. <fontfamily><param>Trebuchet_MS</param>If you have a PC with Windows, or a
Mac with Virtual PC, you may download HERMES from <color><param>9999,3333,0000</param>http://www.ozonesoftware.com</color> and
follow the easy-to-use instructions.
2. Alternatively, you may ask a departmental system administrator to
download and install HERMES on a public PC with Windows, or a Mac with
Virtual PC. Abstracts prepared by either route 1 or 2 may be submitted
(uploaded) via the same site,
<color><param>9999,3333,0000</param>http://www.ozonesoftware.com</color>.
 

3. The least preferable alternative is to produce your abstract in
Microsoft Word. Authors who choose this route, or who use web browsers
incapable of uploading files, can submit their abstracts via FTP. The
host machine is called www.ozonesoftware.com <http://www.ozonesoftware.com>
-  username = calgary, password = calgary (both lower case). Please specify binary or image
mode when putting the file to the server. We will then produce a HERMES
file for you. Please note: the deadline for Abstracts submitted by this
route is January 31, 2000. Later submissions will only be accepted via
HERMES. Note also: only MS Word documents (.doc or .rtf) will be
accepted. Please ensure that all of the required fields are specified
and that your abstract will fit into the space allocated by
HERMES.</fontfamily>

Note: fill in the title for the Symposium: New directions in chemical modeling

Also, could you send me the title of your talk so I can update the web page. I
don't have acces to the abstracts before after February 28