COMPMonday, March 23, 2009

1:30 PM-4:50 PM Salt Palace Convention Center -- 257, Oral
Advancing Computational Chemistry through High-Performance Computing: From the Workstation to Petascale and Beyond: Michael Dewar Memorial Symposium
Nontraditional Density Functional Methods
Organizers:Shawn T. Brown
Ross C Walker
Thomas E. Cheatham III
Kenneth D. Jordan
1:30 PMFirst-principles molecular dynamics on petascale computers: Algorithmic developments and applications
Francois Gygi
2:10 PMLarge-scale quantum mechanical simulations of materials under extreme conditions
William D. Mattson, Betsy M. Rice, Radhakrishnan Balu
2:50 PMNEMO 3-D and OMEN: Nanoelectronic modeling tools for advanced semiconductor device studies and their deployment on nanoHUB.org
Gerhard Klimeck, Mathieu Luisier, Rajib Rahman, Muhammad Usman, Neerav Kharche, Hoon Ryu, Sunhee Lee, Dragica Vasileska
3:30 PMScalable ab initio MD simulations for chemistry
Glenn Martyna
4:10 PMToward petaflop computing for electronic structure calculations
Yang Wang, G. Malcolm Stocks, Aurelian Rusanu, Don M. C. Nicholson, Markus Eisenbach

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Symposium Grid -- Division of Computers in Chemistry -- Session Listing

The 237th ACS National Meeting, Salt Lake City, UT, March 22-26, 2009