COMPTuesday, 30 August 2005

8:30 AM-12:15 PM Washington DC Convention Center -- 150A, Oral
Chemistry in the Large: Teraflop Computing and Beyond
Challenges in Computational Chemistry: Science on Teraflop Computing Platforms and Beyond
Organizer:Theresa L. Windus
Organizer, Presiding:Wibe A. deJong
8:30 AMIntroductory Remarks
8:35 AMRealizing Teraflops computing, striving for petaflops computing
Thom H. Dunning Jr.
9:15 AMParallel DFT calculations with ADF: A software vendor's perspective on code optimization
Stan J. A. van Gisbergen
9:45 AMHigh performance computational chemistry in the 21st century
Theresa L. Windus
10:15 AMIntermission
10:35 AMLeadership computing and chemistry
Robert J. Harrison
11:15 AMLarge scale computing with GAMESS-UK
Joop H. Van Lenthe, Martyn F Guest, Huub J.J van Dam, Ian J. Bush, Paul Sherwood, Jens M.H. Thomas, Remco W.A. Havenith, Joost N.J. van Lingen, Marc de Jonge
11:45 AMWhat can we use a Teraflop computer for?
Edoardo AprÓ

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The 230th ACS National Meeting, in Washington, DC, Aug 28-Sept 1, 2005