From: kendall@ccsf.caltech.edu (Rick Kendall)
Subject: workshop
Keywords: meeting
Organization: CCSF Caltech, Pasadena, CA
Date: 25 Jan 1993 22:47:34 GMT

********************************************************************************
           HIGH PERFORMANCE COMPUTING IN CHEMISTRY (HPCC) WORKSHOP

			    March 6 - 8, 1993

			National Institutes of Health
			Bethesda, Maryland


Sponsors:	Division of Computer Research and Technology (DCRT)
		Molecular Graphics and Simulation Laboratory
		and
		Computer Systems Laboratory
		National Institutes of Health
		Bethesda, Maryland

		Pacific Northwest Laboratory (PNL)
		Molecular Science Research Center
		Richland, Washington

Contact Persons:

	Dr. Bernard R. Brooks			Tel.	301-496-0148
	NIH/DCRT, MGSL				FAX:	301-496-2172
	Bldg. 12A, Rm 2007			email:	brbrooks@helix.nih.gov
	9000 Rockville Pike
	Bethesda, MD 20892

	Dr. Robert Martino			Tel.	301-496-4111
	NIH/DCRT, CSL				FAX:	301-402-2867
	Bldg. 12A, Rm 2033			email:	martino@alw.nih.gov
	9000 Rockville Pike
	Bethesda, MD 20892

	Dr. Rick A. Kendall			Tel.	509-375-2602	
	Molecular Science Software		FAX:	509-375-6631
	Molecular Science Research Center	email:	ra_kendall@cagle.pnl.gov
	Pacific Northwest Laboratory
	P.O. Box 999, MSIN K1-90
	Richland, WA 99352


********************************************************************************
			Advanced Registration Form

	   NIH Conference on High Performance Computing in Chemistry
			     March 6-8, 1993
	             National Institutes of Health
              Bldg. 31, 6th Floor Conference Rms #10,9,7

       Advance registration form must be received at the NIH/DCRT Office 
                           by February 15, 1993


Please print or type:

Name: ______________________________    ______________________________________
		(first)					(last)

Address:______________________________________________________________________

	______________________________________________________________________

City:	_________________________________ State ________________ Zip _________

Telephone (     ) _______________________  FAX: (     ) ______________________

Email Address:    ____________________________________________________________

Title of Presentation:  ______________________________________________________

                        ______________________________________________________

                        ______________________________________________________

Please fill in this form and mail, email, or Fax to:
	Dr. Bernard R. Brooks			FAX:    301-496-2172
	National Institutes of Health,		email:  brbrooks@helix.nih.gov
	Division of Computer Research and Technology
	Bldg. 12A, Rm 2007			
	9000 Rockville Pike
	Bethesda, MD 20892


******************************************************************************

Hotel Reservations:	YES _____   NO _____  Will Make Own reservations _____

Please circle hotel desired in the list below.  Please call 
Ms. Erlinda Inejosa-Ortanez (301-402-0505) for further information.

	Hotel		Tel. No.	Govt. Rate/day		Services Provided

1.	American Inn    301-656-9300    $62 + tax (single)	continental breakfast
					$75 + tax (double)

2.	Bethesda        301-897-9400    $110 (room)		shuttle service to NIH
        Marriott			(tax included)

3.	Bethesda        301-654-1000    $88 + tax (single)	continental breakfast +
        Ramada			        $99 + tax (double)	shuttle service to NIH

4.	Holiday Inn     301-652-2000    $98  + tax (single)	shuttle service to NIH
        Bethesda		        $113 + tax (double)	

5.	Crown Plaza     301-468-1100    $98  + tax (single)	
        Rockville		        $108 + tax (double)	

6.** 	Hyatt Regency   301-657-1234    $84  + tax (special rate for this conference).
        Bethesda		         In Bethesda Metro, NIH shuttle stop, 
					 Federal Bldg., is half a block away.
					 Limited number of rooms will be blocked for 
					 HPCC Workshop.
				

********************************************************************************

				PRELIMINARY PROGRAM

		HIGH PERFORMANCE COMPUTING IN CHEMISTRY (HPCC) WORKSHOP
				 March 6 - 8, 1993


Morning, Saturday, March 6  			Session on High Performance 
						Computing Issues

		  Al Wagner (ANL)  
		  Mal Kalos (Cornell Theory Center)
		  Rick Stevens(ANL)  
		  Dave Dixon (Dupont)
		  Robert Harrison (PNL)


Afternoon, Saturday, March 6                    Session on Macromolecular Simulation

                  B. Monte Pettitt (Houston)
		  Herman Berendsen (Gronigen)
                  Milan Hodoscek (NIH)
                  Peter Kollman  (UCSF)
		  Jan Hermans (UNC)
		  Charles L. Brooks III (Carnegie Mellon)

Morning, Sunday, March 7                        Session on Quantum Mechanical Methods

                  Michael Colvin (Livermore)
                  Richard A. Friesner (Columbia)
                  Martyn Guest (Daresbury)
                  Jan Andzelm (Biosym)
                  John Joannopoulis (MIT)
		  Peter Taylor (SDSC)
		  Mark Gordon (ISU)


Afternoon, Sunday, March 7                      Session on Computer Science and 
						HP Fortran

                  Geoffrey Fox (Syracuse)
                  Ken Kennedy (Rice)             
                  Joel Saltz (Maryland)
                  Ridgeway Scott (Houston)
                  Robert van de Geijn (Texas)
		  Gregory and David Chudnovsky
		  Ed Lazowska (U of Wash.)

Evening, Sunday, March 7 - Poster Session


Morning, Monday, March 8     			Session on New Methods

                  Klaus Schulten (Illinois)
                  Ron Elber (UIC)
                  William A. Goddard III (Caltech)
                  Harold Scheraga (Cornell)
		  Jan Almlof ( U of Minn )
		  Aron Kuperman (Cal Tech)

Afternoon, Monday, March 8

           Open vendor presentation from MPP manufacturers.
		Invited:	Cray Research
				Digital
				Intel
				Kendall Square Research
				nCube
				IBM
				Thinking Machines Corporation
				Tera

            End of Workshop

Advisory Committee:	Nigel Richards, Richard Friesner, Martyn Guest




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