COMPMonday, 29 August 2005

1:30 PM-5:30 PM Washington DC Convention Center -- 150A, Oral
Chemistry in the Large: Teraflop Computing and Beyond
Simulating Biological Processes on Thousands of Processors
Organizers:Theresa L. Windus
Wibe A. deJong
Presiding:Thom H. Dunning Jr.
1:30 PMFolding@Home: Using desktop grid computing to overcome fundamental barriers in biomolecular simulation
Vijay S. Pande
2:10 PMMolecular modeling of complex biological systems: Microbial membranes
T. P. Straatsma
2:50 PMDistributed computations for biomolecular structure, dynamics and folding
Adrian E Roitberg
3:20 PMIntermission
3:40 PMFast multipole communications scaling
B. Montgomery Pettitt, Jakub Kurzak
4:20 PMScalable molecular dynamics simulation of cellular processes
Emad Tajkhorshid
5:00 PMUse of NASA's Columbia teraflop supercomputer to study DNA damage by charged particles
Galina M. Chaban, Winifred M. Huo, Dunyou Wang, Christopher E. Dateo

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