Session Index

Session T19: Theory and Simulation II

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Abstracts
Sponsoring Units: DPOLY
Chair: Amalie Frischknecht, Sandia National Laboratories
Room: 320


Wednesday, March 18, 2009
2:30PM - 2:42PM

T19.00001: Theory of polyzwitterionic solutions
Rajeev Kumar , Glenn Fredrickson

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Wednesday, March 18, 2009
2:42PM - 2:54PM

T19.00002: Charge transport in conjugated polymers: a multiscale picture
Victor Ruehle , James Kirkpatrick , Kurt Kremer , Denis Andrienko

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Wednesday, March 18, 2009
2:54PM - 3:06PM

T19.00003: First principles electronic properties investigation of polythienoacene and its derivatives
Simon Pesant , Paul Boulanger , Guillaume Dumont , Michel C\^ot\'e

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Wednesday, March 18, 2009
3:06PM - 3:18PM

T19.00004: Electronic structure and carrier transport in disordered conjugated polymers
Nenad Vukmirovic , Lin-Wang Wang

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Wednesday, March 18, 2009
3:18PM - 3:30PM

T19.00005: \emph{Ab initio} Study of Diketo-Pyrrolo-Pyrrole Polymers for Photovolta\"ic Applications
Simon L\'evesque , Jean Fr\'ed\'eric Laprade , Michel C\^ot\'e

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Wednesday, March 18, 2009
3:30PM - 3:42PM

T19.00006: First-principles investigation of PVDF and its copolymers
V. Ranjan , Liping Yu , Marco Buongiorno Nardelli , J. Bernholc

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Wednesday, March 18, 2009
3:42PM - 3:54PM

T19.00007: Adaptive Tempering Monte Carlo Study of Dense Polypyrrole Systems
Yafei Dai , Estela Blaisten-Barojas

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Wednesday, March 18, 2009
3:54PM - 4:06PM

T19.00008: Effect of the chain length and segment size of the free polymer on the interaction between two grafted monolayers in a good solvent
Walter Chapman , Shekhar Jain , Valeriy Ginzburg , Prasanna Jog , Jeffrey Weinhold , Rakesh Srivastava

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Wednesday, March 18, 2009
4:06PM - 4:18PM

T19.00009: Interpolation between State Points in the Simulated Perturbation Contributions of Polymer Solutions
Amir Vahid , Neil H. Gray , J. Richard Elliott

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Wednesday, March 18, 2009
4:18PM - 4:30PM

T19.00010: ABSTRACT WITHDRAWN


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Wednesday, March 18, 2009
4:30PM - 4:42PM

T19.00011: Simulation of Microheterogeneous Networks and Extraction of Segment Orientation Behavior from D-NMR Spectra
Bernardo Aguilera-Mercado , Claude Cohen , Fernando Escobedo

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Wednesday, March 18, 2009
4:42PM - 4:54PM

T19.00012: Cooperative dynamics in polymer melts: a comparison of theoretical predictions with Neutron Spin Echo experiments
Marina Guenza

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Wednesday, March 18, 2009
4:54PM - 5:06PM

T19.00013: Equilibrium Partitioning of Polymers between Bulk Dilute Solution and Confining Pores
Yanwei Wang , Flemming Y. Hansen , Guenther H. Peters , Ole Hassager

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Wednesday, March 18, 2009
5:06PM - 5:18PM

T19.00014: Multivalent Nanoparticles: adsorption and organization of bidisperse polymer chains onto a solid interface
Folusho Oyerokun , Richard Vaia , John Maguire , Barry Farmer

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Wednesday, March 18, 2009
5:18PM - 5:30PM

T19.00015: Molecular simulation of crystal nucleation of n-alkane melts
Peng Yi , Gregory Rutledge

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