Spring 1998 Newsletter

• Treasurer's Report
• Election Results and Web Site Directory
• Division Officers
• Publication Schedule
• 216th National ACS Meeting
• Mol. Graphics & Modeling Society Plans Conference

Corporate Support, Book Series and Division's Financial Status

• Molecular Simulations, Inc.
• Digital Equipment Corporation
• Merck
• Gensia
• Glaxo Wellcome
• Isis Pharmaceuticals
• Parke Davis
• Tripos, Inc.

Timothy G. Mattson and Theresa Windus, Eds. Computational Chemistry on MPPs, Clusters and Other Novel Architectures

Karl Irkura and David J. Frurip, Eds. Computational Thermochemistry: Prediction and Estimation of Molecular Thermodynamic

Abby Panill and M. Rami Reddy, Eds. Rational Drug Design

Jiali Gao and Mark A. Thompson, Eds. Hybrid Quantum Mechanical and Molecular Mechanical Methods

As the sponsoring division, COMP receives significant royalty on the sales of these volumes. Members of the Division are entitled to a 40% pre-publication discount on ACS Symposium Series Books sponsored by the Division. Thanks to the editors, contributors, and reviewers for their efforts and their support of COMP!

Finally, I'm pleased to report that COMP remains on sound financial ground. At the time of this writing (New Year's Eve), I still don't have all of the financial information for the year to close the books, so these figures are preliminary. We roughly broke even in 1997. On the books, we technically lost $5000, but this includes payment in 1997 of some National Meeting expenses carried over from 1996. As usual, I will be submitting a full financial report to ACS as part of t he Division's Annual Report, due March 15. Please contact me if you would like to see a copy of our full financials.

Wally Reiher, Treasurer Wally@CompChem.com or Wally_Reiher@cc.chiron.com

Election Results and Web Site Directory

Update from Division Secretary

The division executive committee met in Las Vegas during the Fall ACS meeting to plan division activities and symposia for upcoming meetings. The division's programming and financial situation is excellent. In particular this is due to the aggressive fund raising our symposia chairs have done, as well as the ACS contributions (based on attendance at past meetings). Your support of COMP programming at these meetings is a big part of our success. George Famini, who has done a tremendous job of programming for the division, stepped down at the end of 1997. His successors are Dominic Ryan from Smith Kline Beecham and Ralph Wheeler from the University of Oklahoma. We are continuing to plan for the twenty-fifth anniversary of the division in 1999. The celebration will provide a good warm up for all those turn of the century parties to follow. Currently, we are planning a variety of symposia as well as a dinner. If you have suggestions, or want to volunteer to help with the festivities, please get in touch with Dominic Ryan or Ralph Wheeler.

Thanks also to all of you who took the time to return the information cards for the new on-line membership directory. The directory should be accessible from our web page beginning in late January. The directory will allow members to search for other members by name, location, and specialty. The data will be updated every four months, but members will be able to add information, such as an e-mail address, specialty or web site, to their own entries at any time. We hope that the information and accessibility of it will be of use to our members. If you have any comments on the directory, either now, or when it comes up, please address them to me at mfrancl@brynmawr.edu.

Michelle M. Francl, Secretary, COMP

Division Officers

Chair

Past Chair

Treasurer

Secretary

Councilors

Alternate Councilors

Program Chair

Lisa Chirlian
Newsletter Editor
Department of Chemistry
Bryn Mawr College
Bryn Mawr, PA 19010
Ichirlia@brynmawr.edu

DIVISION OF COMPUTERS IN CHEMISTRY

216th National ACS Meeting

August 23-27, 1998 - Boston, MA

De Novo Drug Design

Computational Chemistry and Transition Metals

Computational Chemistry and the Classroom

Molecular Mechanics Parameters and Parameterization

Molecular Simulations with Extended Lagrangians

Combinatorial Chemistry

Building the Bridge Between Computational Chemistry and Process Modeling

Modeling of NMR Chemical Shifts

"Molecular Modeling in the Large: Bridging scales in space, time, and complexity"

The following sessions are being arranged:
Bootstrapping from low resolution data/ Bioinformatics
General Methods and Collaborative Efforts
Therapeutic Approaches
Crossing Time Scales
Multiphase Systems
Design of Large Scale Systems; Assembly and Modifications

The meeting is intended to be cross-disciplinary, focusing on bringing together computational and experimental scientists to review the state of the art in calculating large-scale and complex systems.

The COMP division wants your suggestions for Symposium topics!

Division of Computers in Chemistry Membership Application

If you are not an ACS member but wish to be a Division Affiliate, check here.

Dues are $10 per annum for all but student members, for whom dues are $5 per annum.

Please send a check to: Prof. Michelle M. Francl, Department of Chemistry, Bryn Mawr College, Bryn Mawr, PA 19010

If you would like to pay with a credit card, call ACS Member Services at (800)333-9511. General ACS Division Membership forms (accepting credit card payments) are also available at the Divisional Information Display that is typically centrally located at all National ACS meetings.