Subject: CCTCCMEETING

From: [email-masked] (Jerzy Leszczynski)
Date: Mon, 9 Sep 1996 23:46:25 -0500

Dear Colleague:

     We are pleased to announce the 5th conference on CURRENT
TRENDS IN COMPUTATIONAL CHEMISTRY. This symposium, organized by 
Jackson State University, will cover all areas of Computational 
Chemistry, as well as Quantum Chemistry. The local host of the 
conference is US Army Corps of Engineers Waterways Experiments 
Station in Vicksburg. 
     The meeting will be held at the Holiday Inn of Vicksburg 
(40 miles west of Jackson), Mississippi, on November 1 & 2, 1996.
The format consists of a series of plenary lectures and poster 
presentations on Friday and Saturday, covering applications as
well as theory. In addition, a banquet is scheduled on Friday 
night and a reception and dinner on Saturday evening.
     We are planning to publish extended abstracts (up to 4 
pages) of all invited talks and poster presentations.  Original 
scientific contributions will be published in a special issue of 
the Journal of Molecular Structure (THEOCHEM). Manuscripts for
inclusion in the special issue should be submitted in triplicate 
upon arrival at the registration desk. The submitted papers will 
follow the journal's standard refereeing procedure.
     Following this letter are the conference schedule and a 
registration form. The deadline for registration and abstract 
submission is September 30, 1996.

                        Sincerely,

                        Jerzy Leszczynski
                        Chairman of the Organizing Committee
                        Jackson State University
                        Dept of Chemistry
                        1400 JR Lynch St.
                        Jackson, MS 39217
                        Phone:  (601) 973-3482
                        Fax:    (601) 973-3674
                        E-Mail: [email-masked]

			       PROGRAM

The program will include invited papers and contributed posters in 
all areas of Quantum and Computational Chemistry.

FRIDAY, NOVEMBER 1, 1996

Registration                                     8:00AM - 12:00N
                                                 2:00PM -  4:00PM

Continental Breakfast                            8:00AM -  9:00AM

Opening Ceremony                                 9:00AM -  9:30AM

MORNING SESSION                                  9:30AM - 12:50PM
  Session Chair: Mike Zerner, University of Florida

  Harold Scheraga, Cornell University
  "Global Optimization in Computations of Protein Folding"

  Pavel Hobza, Czech Academy of Sciences
  "Structure and Properties of DNA Base Pairs: A Theoretical
  Study"

Coffee Break                                    11:00AM - 11:20AM

  Nils Y. Ohrn, University of Florida
  "The Wavefunction Phase Space: An Approach to the Dynamics
  of Molecular Systems"

  Josef Paldus, University of Waterloo
  "Unitary Group-based Coupled-cluster Approach to Open
  Shells: Basic Ideas and Recent Developments"

Lunch Break                                     12:50PM -  2:00PM

AFTERNOON SESSION                                2:00PM -  3:30PM
  Session Chair: Donald Truhlar, University of Minnesota

  Dennis Salahub, Universite de Montreal
  "Improving and Applying Density Functional Theory for
  More and More Complex Systems and Processes"

  Gustavo E. Scuseria, Rice University
  "Achieving Linear Scaling in Density Functional
  Calculations of Large Molecular Systems"

Coffee Break                                     3:30PM -  4:00PM

Tour of the WES Facilities                       4:00PM -  5:30PM

FIRST POSTER SESSION                             6:00PM -  7:15PM

Cocktails                                        7:30PM -  8:30PM

BANQUET                                          8:30PM - 10:30PM
  Speaker: Dr. Richard Chait,
           Director of Army Research & Laboratory Management

SATURDAY, NOVEMBER 2, 1996

Continental Breakfast                            8:00AM -  9:00AM

Registration                                     8:30AM - 11:00AM

MORNING SESSION                                  9:00AM - 12:30PM
  Session Chair: Svein Larsson, Chalmers University of Technology
                 and University of Goteborg

  Jean-Louis Rivail, Universite Henri Poincare
  Title TBA

  Joseph S. Francisco, Purdue University
  "Unraveling the Chemistry of the Atmosphere: New Roles for
  Computational Chemistry"

Coffee Break                                   10:30AM - 11:00AM

  John Stanton, University of Texas at Austin
  "Overview of the Equation-of-motion Coupled-cluster
  Methods"

  Suehiro Iwata, Institute of Molecular Science, Okazaki
  Spectroscopies, Reactions and Dynamics of Molecular Clusters

Lunch Break                                    12:30PM -  2:00PM

AFTERNOON SESSION                               2:00PM -  4:15PM

  Neil Ostlund, Hypercube Inc.
  "A Chemist's Developer's Kit: Building Computational
  Chemistry Software Without Reinventing the Wheel"

  Michael L. McKee, Auburn University
  "Computational Studies of Boranes and Carboranes"

  Peter Schwerdtfeger, University of Auckland
  Superheavy Elements - A Challenge for Different Relativistic Methods

Coffee Break                                    4:15PM -  4:45PM

SECOND POSTER SESSION                           4:45PM -  6:00PM

Dinner/Reception                                6:30PM - 10:00PM

Updated information on conference activities and the
subjects of the invited speakers' talks will be available
on the World Wide Web at 

    http://tiger.jsums.edu/~mikes/compconf.html

Registration form:

			 5th Conference on

	    CURRENT TRENDS IN COMPUTATIONAL CHEMISTRY

	    NOVEMBER 1 & 2, 1996, Jackson, Mississippi

1.  NAME:___________________________________________________________

    MAILING ADDRESS:________________________________________________

    TELEPHONE:____________ FAX:___________ E-MAIL:__________________

2.  If you wish to present a poster, please indicate the title
    below.   All abstracts are due September 30, 1996 (up to 4
    pages in length, presenting author underlined, photo-ready 
    quality, in duplicate) to ensure publication in the Conference 
    Materials.

    TITLE:__________________________________________________________

    AUTHORS:________________________________________________________

3.  Conference materials, Banquet and reception fee, all meals from 
    breakfast on Friday through dinner on Saturday, coffee and 
    refreshments are included per paid participant.  

    Make checks payable to :    
         Conference on "Current Trends in Computational Chemistry"
	
    in accord with the fee structure listed below.

    Registration fee before September 30, 1996:  $150.00  $_______
 
    Registration fee thereafter                  $200.00  $_______
 
    Registration fee at student discount         $ 75.00  $_______

5.  HOUSING:  The organizers will not make housing reservations.
    In order to reserve a room at a special conference rate of
    $50.00-$60.00 per room, call Holiday Inn of Vicksburg, 3330 
    Clay Street, Vicksburg, MS 39180.  Phone:(601)636-4551, 
    Fax:(601)636-4552. The reservation should be arranged with 
    the Holiday Inn before October 15, 1996.

    I do___ do not___ plan to stay at the conference hotel.

    I do___ do not___ plan submit a paper to the special issue 
       of THEOCHEM.

                                         _____________________
						     signature

Please type all entries and return to Jerzy Leszczynski, Department
of Chemistry, Jackson State University.  P.O.Box 17910, Jackson,
MS 39217.