PHYSWednesday, 13 September 2006

1:20 PM-5:00 PM Grand Hyatt San Francisco -- San Miguel, Oral
Cyber Science, Chemistry
Cyber Science - Materials
Organizers:Mark S. Gordon
Teresa Head-Gordon
Presiding:T. Daniel Crawford
1:20 PMMolecular simulations of amphiphilic dendrimers
Monica H. Lamm
2:00 PMEfficient modeling of silicon and silicon oxide surface chemistry with electronic structure theory using pseudo-atoms
Hrant P. Hratchian, Ryan D. Fenno, Krishnan Raghavachari
2:20 PMQuantum simulations of materials and nanostructures: Recent progress and open problems
Giulia Galli
3:00 PMIntermission
3:20 PMFrom first-principles to the properties of ionic materials, via transferable interaction potentials
Paul A. Madden
4:00 PMMaterials at ultra-high PTs: The coming of age of planetary materials theory
Renata Wentzcovitch
4:40 PMDynamic data driven applications systems
Frederica Darema

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The 232nd ACS National Meeting, San Francisco, CA, September 10-14, 2006