meeting in March
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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 ( ( at ) ) 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 ( ( at ) ) 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 ( ( at ) ) cagle.pnl.gov
Pacific Northwest Laboratory
P.O. Box 999, MSIN K1-90
Richland, WA 99352
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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 ( ( at ) ) 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.
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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