COMPSunday, 28 August 2005

8:05 AM-11:55 AM Washington DC Convention Center -- 150B, Oral
Large Scale Molecular Dynamics, Nanoscale, and Mesoscale Modeling and Simulation: Bridging the Gap
Inorganic/Organic Applications and Methods
Organizers:Richard B. Ross
Sanat Mohanty
Presiding:Alon V. McCormick
8:05 AMIntroductory Remarks
8:15 AMModeling spontaneous formation of precursor nanoparticles in clear-solution zeolite synthesis
Scott M. Auerbach, Miguel Jorge, Peter Monson
8:50 AMMultiscale modeling of the electronic properties and quantum conductance of carbon nanotubes doped by encapsulation of organic molecules
Bobby G. Sumpter, Vincent Meunier
9:25 AMMultiscale simulations of polymer modified fullerenes in aqueous solution
Grant D. Smith, Dmitry Bedrov
10:00 AMIntermission
10:10 AMMultiscale simulations of soft condensed systems
Sanat K. Kumar
10:45 AMMultiscale simulation of the assembly and properties of nanostructured organic/inorganic hybrid materials
Clare McCabe
11:20 AMMultiscale modeling and simulation of polymer-tethered silsesquioxane assemblies
Elaine R. Chan, Xi Zhang, Cheng-Ying Lee, Matthew Neurock, Alberto Striolo, Clare McCabe, Peter T. Cummings, John Kieffer, Sharon C. Glotzer

Large Scale Molecular Dynamics, Nanoscale, and Mesoscale Modeling and Simulation: Bridging the Gap -- Next Session

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

Symposium Grid -- Nanotech/Nanoscience -- Session Listing

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