COMPSunday, 28 August 2005

1:25 PM-4:45 PM Washington DC Convention Center -- 150B, Oral
Large Scale Molecular Dynamics, Nanoscale, and Mesoscale Modeling and Simulation: Bridging the Gap
Inorganic Applications and Methods
Organizer:Richard B. Ross
Organizer, Presiding:Sanat Mohanty
1:25 PMIntroductory Remarks
1:30 PMAluminum nanoparticles: Potentials and dynamics
Donald G. Truhlar, Ahren W. Jasper, Nathan E. Schultz, Przemek Staszewski, Grazyna Staszewska
2:15 PMA hybrid quantum-classical approach to the study of dislocation properties
Francesca Tavazza, Anne M. Chaka, Lyle Levine
2:45 PMElectronic structure of fullerene-like cages and finite nanotubes of aluminum nitride
Rajendra R. Zope, Brett I Dunlap
3:15 PMIntermission
3:30 PMKinetic monte carlo of gelling/microstructure development in nanostructured aerosols
Alon V. McCormick, Michael R. Zachariah
4:15 PMUnusually shaped multi-atom vacancies in Diamond
Istvan Laszlo, Miklos Kertesz, Yury Gogotsi

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