From d3e129@cagle.pnl.gov Mon Jan 25 06:50:40 1993 Date: Mon, 25 Jan 93 14:50:40 PST From: d3e129@cagle.pnl.gov Subject: meeting in March To: chemistry@ccl.net Message-Id: <9301252250.AA19738@cagle.pnl.gov> ******************************************************************************** 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