COMPMonday, August 17, 2009

1:00 PM-5:10 PM Walter E. Washington Convention Center -- 146C, Oral
Simulation of (Bio)Organic-Inorganic Interfaces and Nanostructures Using MD, MC, and Multiscale Approaches
Polymers and Polymer Interfaces
Organizer, Presiding:Hendrik Heinz
1:00 PMSimulating macromolecules by structure based coarse graining and adaptive resolution methods
Kurt Kremer, Christine Peter, Nico van der Vegt, Luigi Delle Site, Matej Praprotnik
1:35 PMDesigning self-propelled trains of microcapsules
Anna C. Balazs, O. Berk Usta, A. Bhattacharya
2:10 PMSingle-chain dynamics in a homogeneous melt and a lamellar microphase: A comparison between Smart-Monte-Carlo dynamics, slithering-snake dynamics, and slip-link dynamics
Marcus Müller, Kostas Ch. Daoulas
2:45 PMSelf-organized dispersion in a multicomponent nanoclay composite by a coarse-grained Monte Carlo simulation
Ras B. Pandey, B. L. Farmer
3:20 PMIntermission
3:35 PMSimulation of organic-inorganic interfaces: The case of self-assembled monolayers on metal oxides in organic opto-electronic devices
Jean-Luc Brédas
4:10 PMModeling of polymer-attached metal complexes for energy-dissipative materials
B. Christopher Rinderspacher, Jan W. Andzelm, Adam M. Rawlett, Robert H Lambeth III
Paper Withdrawn
4:50 PMSelf-adaptive surface: Atomistic modeling approach to structural reorganization of self-assembled monolayer on H-Si (111) surface
Seung Soon Jang

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The 238th ACS National Meeting, Washington, DC, August 16-20, 2009