Subject: COMP Schedule for SF

From: George R Famini <[email-masked]>
Date: Mon, 23 Sep 96 7:52:14 EDT

Sorry for the delay for getting this to everyone.  Enclosed is the 
tentative agenda for the Division of Computers in Chemistry at the
Spring 1997 meeting, to be held in San Francisco 13-17 April 1997.

The Program Committee met in Orlando, and agreed to the agenda below.
Please note, until the final program is submitted to ACS, the
schedule is flexible, and may require some modification based on
increased number of abstracts for a given symposium.  However, we
will endeavor to stay as close to this agenda as possible.  

I have also included the addresses for the organizers for SF (following
the tentative agenda), as well as the proposed symposia for future
meetings through 1998.  In 1999, COMP will be celebrating its 25th
anniversery, and I am very interested in doing "something" different
for Anaheim (spring 1999).  If anyone has ideas related to COMP's
mission, history, and the history of computational chemistry, please
contact me (and be prepared to assist!!!).  I am also taking ideas
for sympsia for 1999.

					George Famini
					COMP Program Chair

San Francisco- COMP Tentative Program

Symposium 			Sunday Monday Tuesday Wednesday Thursday

Industrial Applications 	 D 	D 	D

Nucleic Acids  		 	 		D 	D

Clusters and MPP 		 D

Inorganic Materials   May be Cancelled.  Will know soon

Pharmacophores   		 D 	D

DFT  					P 	D 	D 	   D

Multivariate  							   A

Graduate and Undergraduate 
Education			 D

Polymer 			 	D 	D 	D

COMP CHEM Award Symposium 		A

AI 								   P

Sci Mix 				E

General Poster 					E

General Oral 							   D

D =  All Day (Morning and Afternoon);  A = Morning Only;  P =  Afternoon Only; E = Evening

American Chemical Society
Computers in Chemistry Division
San Francisco Meeting, April 13-18, 1997

Program Chair:  George R. Famini, U.S. Army Edgewood 
Research, Development and Engineering Center, SCBRD-ASI, 
Aberdeen Proving Ground, MD 21010; Voice:  (410)671-2552; Fax:  
(410)671-5373; email:  [email-masked].

Four (4) copies of 150-word abstract (Original on ACS Abstract 
Form) are due by October 25, 1996 to respective session or 
symposium chairpersons.

         Industrial Applications of Computational Chemistry - 
Dr. Rick Ross, PPG Industries, P.O. Box 9, Allison Park, PA 15101; 
Voice (412)492-5359; email:  [email-masked].  Dr. Anne Chaka, 
Lubrizol.
 
       Molecular Modeling and Structure Determination of 
Nucleic Acids - Dr. Neocles B. Leontis, Department of 
Chemistry, Bowling Green State University, Bowling Green, 
OH 43403; voice:  (419)372-8663; fax: (419)372-9809;  email:  
[email-masked].
 	
        Computational Chemistry on Clusters, MPPs and Other 
Non-Traditional Computers -.    Dr. Timothy G. Mattson, 
Intel Supercomputer Systems Division, 5200 N.E. Elam Young 
Parkway, Mail Stop C06-09, Hillsboro, OR 97124; voice:  
(503)531-5502; email:  [email-masked].
 	
        Simulations of Inorganic and Organometalic Materials - 
Dr. Michael Sennett, Aviamed Corporation, Boston, MA, voice: 
(508)777-5410.  (May be cancelled)
 	
       Pharmacophore Identification - Dr. Yvonne Martin, 
Computer Assisted Molecular Design Project, D-47E, AP9A-LL, 
Abbott Laboratories,  One Abbott Park Road, Abbott Park, IL 
60064,voice: (708) 937-5362fax: 708 937-2625; email: 
[email-masked].	
       
  Recent Developments in Molecular Simulations Using 
Density Functional Theory - Dr. Jorge M. Seminario, 
Department of Chemistry, University of New Orleans, New 
Orleans, LA 70148, voice:  fax:   504-286-6860; email: 
[email-masked]
 		
        Multivariate Models of Chemical Processes - Dr. Karen 
Rappaport, Hoechst-Celanese, 86 Morris Ave, Summitt, NJ 
07901; voice:  (908)522-7868; fax:  (908)522-3913;  email:  
[email-masked].
 
  Computational Chemistry in Graduate and 
Undergraduate Education-  Dr. Angelo R. Rossi, IBM 
Research Division, T. J. Watson Research Center,Yorktown 
Heights, New York 10598:  voice: 914-945-3834;  Fax: 914-945-
2141;  e-mail:  [email-masked].
  
  Artificial Intelligence in Chemistry - Dr. Daniel Dolota, 
Department of Chemistry, University of Ohio
 W
  Polymer Modeling - Wayne L. Mattice, Polymer Science, 
University of Akron, Akron, OH  44325-3909; voice: (216) 972-
5128; fax: (216) 972-5396; [email-masked].
 
  General Computational Chemistry - Poster and/or Oral 
Sessions - Dr. George R. Famini, US Army Edgewood 
Research, Development and Engineering Center, SCBRD-ASI, 
APG, MD 21010; voice:   410)671-2552; Fax:  (410)671-5373; 
email:  [email-masked].

American Chemical Society
Computers in Chemistry Division
Las Vegas Meeting, September 7-11, 1997

Program Chair:  George R. Famini, U.S. Army Edgewood 
Research, Development and Engineering Center, SCBRD-ASI, 
Aberdeen Proving Ground, MD 21010; Voice:  (410)671-2552; Fax:  
(410)671-5373; email:  [email-masked].

Four (4) copies of 150-word abstract (Original on ACS Abstract 
Form) are due by April 19, 1997 to respective session or 
symposium chairperson.

        Computational Tools for Rational Drug Design - Dr. 
Abby Parrill, Chemistry Department, Artificial 
Intelligence in Chemistry Laboratory, The University of 
Arizona, email:  [email-masked], and 
Dr. M. Rami Reddy, Gensia Inc., 9390 Towne Centre 
Drive, SanDiego, CA 92121;  voice:  (619)-622-3851; fax:  
(619)-622-4184; email:  [email-masked]
 		
        Combined Quantum Mechanical/Molecular 
Mechanical Methods - Dr. Jiali Gao, Department of 
Chemistry, SUNY Buffalo, Buffalo, NY, email: 
[email-masked]; Mark A. Thompson, 
Molecular Science Research Center,Pacific Northwest 
Laboratory, PO Box 999, Mail Stop K1-96 Richland, WA., 
99352 , voice:  509-375-6734 FAX  :  509-375-6631;email:  
[email-masked]
 
  Structure Based Drug Design:  Chemistry and 
Biology - Dr. Tomi Sawyer, Parke Davis Pharmaceutical 
Research, 2800 Plymouth Rd., Ann Arbor, MI 48105, 
phone (313)998-2811; fax:  (313)998-2782; email:  
[email-masked].
 
  New Methods in Computational Chemistry - Dr. 
Herschel Weintraub, RW Johnson Co. 1000 Route 
202,Raritan, NJ 08869;  phone:  (908)704-5835;  fax:  
(908)725-4264;  email:  [email-masked].
 
  Multidimensional Data Visualization - Dr. Frank K. 
Brown, Oxford Molecular Group, Chapel Hill, NC 27516; 
Voice:  (919)-968-8815; Fax:  (919)962-6401;  email:  
[email-masked].

  Solvation Models:  Applications and Theory - Dr. 
John McKelvey, Research Labs, Eastman-Kodak Co., 
Rochester, NY, 14650; Voice:  (716)477-3335; email:   
[email-masked].
 
  Internet for the Practicing Chemist - Dr. Jan 
Labonowski, Ohio Supercomputer Center, 1224 Kinnear 
Rd, Columbus, OH 43212;  Phone: 614-292-9279;  FAX:   
614-292-7168;  e-mail: [email-masked].
 
  Electrostatic Effects in Chemistry - Dr. Donald 
Truhlar, Department of Chemistry, University of 
Minnesota, Minneapolis, MN 55455;  phone:  (612)624-
7555; fax:  (612)624-9390;  email: [email-masked]:  
Dr. Christopher Cramer, Department of Chemistry, 
University of Minnesota, Minneapolis, MN 55455; phone:  
(612) (612)624-0859;  fax:  (612)626-9390;  email: 
[email-masked].

        General Computational Chemistry - Poster and/or 
Oral Sessions and Electronic Posters- Dr. George R. 
Famini, US Army Edgewood Research, Development and 
Engineering Center, SCBRD-ASI, APG, MD 21010; voice:  
 410)671-2552; Fax:  (410)671-2014; email:  
[email-masked].

American Chemical Society
Computers in Chemistry Division
Dallas Meeting, March 29 - April 2, 1998

Program Chair:  George R. Famini, U.S. Army Edgewood 
Research, Development and Engineering Center, SCBRD-ASI, 
Aberdeen Proving Ground, MD 21010; Voice:  (410)671-2552; Fax:  
(410)671-5373; email:  [email-masked].

Four (4) copies of 150-word abstract (Original on ACS Abstract 
Form) are due by October 20, 1997 to respective session or 
symposium chairperson.

  Computational Reaction Mechanisms -  Dr. Timothy 
Clark, Chemie-Centrum des Institus fur Organische 
Chemie, Friedrich-Alesander-UniversitaetErlhangen-
Nuernberg, Naegelsbachstrasse 25, D-91052 Erlangen, 
GERMANY;  phone: +49-9131-852948; fax:  +49-9131-
856565;  email:  [email-masked].
 
  Compuational Chemisty on Organophosphorus 
Compounds - Dr. William E. White, U.S. Army 
Edgewood Research, Development and Engineering 
Center, SCBRD-ASI, Aberdeen Proving Ground, MD 
21010; Voice:  (410)671-3058; Fax:  (410)671-1912; email:  
[email-masked].
 
  QSAR and Related Techniques - Dr. Curt 
Breneman,Department of Chemistry, Rensellaer 
Polytechnic University, Cogswell Lab, 110 8th St, Troy, 
NY, phone:  (518)276-2678; fax:  )518)276-4045;  email:  
[email-masked].
 
  Activity Prediction and Database Searching: A 
Synergistic Approach -  Dr. Ajay Shah, Biosym 
Corporation, 9685, Scranton Road, San Diego, CA 92121-
3752 ; fax: (619) 458-0136;  email: [email-masked].
 
  Computational Methods in Catalysis - Dr. Donald 
Truhlar, Department of Chemistry, University of 
Minnesota, Minneapolis, MN 55455;  phone:  (612)624-
7555; fax:  (612)624-9390;  email: [email-masked]
 
  Diverse Perspectives in Chemical Diversity - Dr. 
Robert Pearlman, College of Pharmacy, University of 
Texas, Austin, Texas 78712, voice: 512-471-3383, FAX:   
512-471-7474, email:  [email-masked].
 
  Three Dimensional Descriptors - Dr. James Devillers, 
Centre de Traitement de lInformation Sciengifique, 21 rue 
de la Banniere, 69003 Lyon, FRANCE, phone:  33-78-62-
84-99, fax:  33-78-62-99-12.
 
  Linear Scaling Quantum Mechnical Methods - Dr. 
Kenneth M. Merz Jr., Associate Professor of Chemistry, 
152 Davey Laboratory, Department of Chemistry, The 
Pennsylvania State University, University Park, 
Pennsylvania 16802:  Phone: (814) 865-3623;  Fax:   (814) 
863-8403  Email: [email-masked]

  Laboratory Automation and Instrumentation - Dr. 
Karen Rappaport, Hoechst-Celanese, 86 Morris Ave, 
Summitt, NJ 07901; voice:  (908)522-7868; fax:  (908)522-
3913;  email:  [email-masked].
 	
        General Computational Chemistry - Poster and/or 
Oral Sessions - Dr. George R. Famini, US Army 
Edgewood Research, Development and Engineering 
Center, SCBRD-ASI, APG, MD 21010; voice:   410)671-
2552; Fax:  (410)671-2014; email:  
[email-masked].

American Chemical Society
Computers in Chemistry Division
Boston Meeting, 23-27 August, 1998

Program Chair:  George R. Famini, U.S. Army Edgewood Research, 
Development and Engineering Center, SCBRD-ASI, Aberdeen Proving 
Ground, MD 21010; Voice:  (410)671-2552; Fax:  (410)671-5373; email:  
[email-masked].

Four (4) copies of 150-word abstract (Original on ACS Abstract Form) are due 
by April 19, 1998 to respective session or symposium chairpersons.

  De Novo Drug Design - Dr. Mark A. Murcko, Vertex Pharmaceuticals Inc., 40 
Alston St., Cambridge, MA 02139; voice:  617-576-3111; fax:  617-576-2109; 
email:  [email-masked].
 
  Computational Chemistry and Transition Metals - Dr. Michelle Francl, 
Department of Chemistry, Bryn Mawr University.
 
  Computational Chemistry and the Classroom -  Dr. Jeffry D. Madura, 
Department of Chemistry, University of South Alabama, Mobile, AL 36688;        
Phone:   (334) 460-7430;  FAX:   (334) 460-7359;  e-mail:  
[email-masked]
 
  Molecular Mechanics Parameters and Parameterization - Dr. Thomas 
Halgren, Merck and Co. 
 
  Molecular Simulations with Extended Lagrangians - Dr. Joel S. 
Bader,CuraGen Corp., 322 E. Main St.,Branford, CT 06405,voice:  (203)481-
104x236; fax:  (203)481-1106;email:  [email-masked]; Dr. Steven Rick, 
National Cancer Institute, Bldg 430, Frederick, MD. 21702-1201, voice:  (301) 
846-5549; fax:  (301) 846-5762; email:  [email-masked].
 
  Combinatorial Chemistry - Dr. David Spellmeyer, Chiron Corporation, Emeryville, 
CA 94608; voice:  (510)601-3313; fax:  (510)601-3360; email:  [email-masked]	
 
  Building the Bridge Between Computational Chemistry and Process 
Modeling - Dr. Rick Ross, PPG Industries, P.O. Box 9, Allison Park, PA 15101; Voice 
(412)492-5359; email:  [email-masked].
 
  General Computational Chemistry - Poster and/or Oral Sessions - Dr. 
George R. Famini, US Army Edgewood Research, Development and Engineering 
Center, SCBRD-ASI, APG, MD 21010; voice: (410)671-2552; Fax:  (410)671-5373; 
email:  [email-masked].

23-Apr-96