PHYSWednesday, March 28, 2007

1:20 PM-4:35 PM McCormick Place South -- Room S406A, Level 4, Oral
Capturing Complexity in Physical Sciences Simulation
Organizers:William F. Schneider
Krishnan Raghavachari
Organizer, Presiding:Christopher M. Wolverton
1:20 PMModeling realistic nanostructures with maximally-localized Wannier functions
Nicola Marzari
2:00 PMNanoscale dielectrics: Physical and dielectric properties from first principles
R. Ramprasad, Ning Shi, Chunguang Tang
2:40 PMMonte Carlo-based simulations of the formation of graphite oxide
Jeffrey T. Paci, Ted Belytschko, George C. Schatz
3:00 PMIntermission
3:15 PMAtomic scale design of nanostructures
Jerry Bernholc
3:55 PMSimulation of nano and biomolecular systems
Keiji Morokuma
Paper Withdrawn

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The 233rd ACS National Meeting, Chicago, IL, March 25-29, 2007