Theory and Simulation II
ORAL · T19 ·
Presentations
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Theory of polyzwitterionic solutions
ORAL
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Authors
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Rajeev Kumar
- Materials Research Lab, UCSB
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Glenn Fredrickson
- UCSB - MC CAM
- Materials Research Laboratory, University of California, Santa Barbara
- University of California, Santa Barbara
- Materials Research Lab, UCSB
- Department of Chemical Engineering and the Materials Research Laboratory, University of California, Santa Barbara
- UCSB, USA
- UC Santa Barbara
- UCSB
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Charge transport in conjugated polymers: a multiscale picture
ORAL
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Authors
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Victor Ruehle
- Max Planck Institute for Polymer Research
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James Kirkpatrick
- Imperial College London
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Kurt Kremer
- Max Planck Institute for Polymer Research
- Max-Planck Institute for Polymer Research
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Denis Andrienko
- Max Planck Institute for Polymer Research
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First principles electronic properties investigation of polythienoacene and its derivatives
ORAL
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Authors
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Simon Pesant
- D\'epartement de physique et Regroupement qu\'eb\'ecois sur les mat\'eriaux de pointe (RQMP), Universit\'e de Montr\'eal, Canada
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Paul Boulanger
- D\'epartement de physique et Regroupement qu\'eb\'ecois sur les mat\'eriaux de pointe (RQMP), Universit\'e de Montr\'eal, Canada
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Guillaume Dumont
- D\'epartement de physique et Regroupement qu\'eb\'ecois sur les mat\'eriaux de pointe (RQMP), Universit\'e de Montr\'eal, Canada
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Michel C\^ot\'e
- D\'epartement de physique et Regroupement qu\'eb\'ecois sur les mat\'eriaux de pointe (RQMP), Universit\'e de Montr\'eal, Canada
- D\'epartement de physique, Regroupement qu\'eb\'ecois des mat\'eriaux de pointe (RQMP), Universit\'e de Montr\'eal, Canada
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Electronic structure and carrier transport in disordered conjugated polymers
ORAL
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Authors
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Nenad Vukmirovic
- Lawrence Berkeley National Laboratory
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L.-W. Wang
- Lawrence Berkeley National Laboratory
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\emph{Ab initio} Study of Diketo-Pyrrolo-Pyrrole Polymers for Photovolta\"ic Applications
ORAL
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Authors
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Simon L\'evesque
- Departement de physique et Regroupement quebecois sur les materiaux de pointe (RQMP), Universite de Montreal, Canada
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Jean Fr\'ed\'eric Laprade
- Departement de physique et Regroupement quebecois sur les materiaux de pointe (RQMP), Universite de Montreal, Canada
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Michel C\^ot\'e
- Departement de physique et Regroupement quebecois sur les materiaux de pointe (RQMP), Universite de Montreal, Canada
- D\'epartement de physique and Regroupement qu\'eb\'ecois sur les mat\'eriaux de pointe (RQMP), Universit\'e de Montr\'eal, Canada
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First-principles investigation of PVDF and its copolymers
ORAL
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Authors
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V. Ranjan
- North Carolina State U, Raleigh
- North Carolina State University, Raleigh, NC
- NC State U
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Liping Yu
- North Carolina State University, Raleigh, NC
- NC State U
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Marco Buongiorno Nardelli
- NC State Univ
- North Carolina State University, Raleigh, NC and Oak Ridge National Laboratory, TN
- NC State U
- North Carolina State University
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J. Bernholc
- NC State U., Raleigh; CSMD, ORNL
- NCSU
- NC State U. Raleigh NC and CSMD, ORNL, TN
- North Carolina State University
- North Carolina State University, Raleigh, NC and Oak Ridge National Laboratory, TN
- NC State U
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Adaptive Tempering Monte Carlo Study of Dense Polypyrrole Systems
ORAL
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Authors
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Yafei Dai
- Computational Materials Science Center, George Mason University, Fairfax, VA 20030
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Estela Blaisten-Barojas
- Computational Materials Science Center, George Mason University, Fairfax, VA 22030
- Computational Materials Science Center, George Mason University, Fairfax, VA 20030
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Effect of the chain length and segment size of the free polymer on the interaction between two grafted monolayers in a good solvent
ORAL
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Authors
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Walter Chapman
- Rice University
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Shekhar Jain
- Rice University
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Valeriy Ginzburg
- Dow Chemical Company
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Prasanna Jog
- Dow Chemical Company
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Jeffrey Weinhold
- Dow Chemical Company
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Rakesh Srivastava
- Dow Chemical Company
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Interpolation between State Points in the Simulated Perturbation Contributions of Polymer Solutions
ORAL
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Authors
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Amir Vahid
- Chemical and Biomolecular Engineering Department, The University of Akron, Akron OH 44325 USA
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Neil H. Gray
- Chemstations Inc., 2901 Wilcrest Dr., Houston TX 77042 USA
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J. Richard Elliott
- Chemical and Biomolecular Engineering Department, The University of Akron, Akron OH 44325 USA
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ABSTRACT WITHDRAWN
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Simulation of Microheterogeneous Networks and Extraction of Segment Orientation Behavior from D-NMR Spectra
ORAL
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Authors
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Bernardo Aguilera-Mercado
- School of Chemical and Biomolecular Engineering, Cornell University
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Claude Cohen
- Cornell University
- School of Chemical and Biomolecular Engineering, Cornell University
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Fernando Escobedo
- School of Chemical and Biomolecular Engineering, Cornell University
- Cornell University
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Cooperative dynamics in polymer melts: a comparison of theoretical predictions with Neutron Spin Echo experiments
ORAL
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Authors
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Marina Guenza
- University of Oregon
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Equilibrium Partitioning of Polymers between Bulk Dilute Solution and Confining Pores
ORAL
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Authors
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Yanwei Wang
- Technical University of Denmark
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Flemming Y. Hansen
- Tech. U. of Denmark
- Technical University of Denmark
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Guenther H. Peters
- Technical University of Denmark
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Ole Hassager
- Technical University of Denmark
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Multivalent Nanoparticles: adsorption and organization of bidisperse polymer chains onto a solid interface
ORAL
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Authors
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Folusho Oyerokun
- AFRL
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Richard Vaia
- Air Force Research Laboratory
- AFRL
- AFRL/RXBN
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John Maguire
- AFRL
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Barry Farmer
- Air Force Research Laboratory, WPAFB
- AFRL
- Air Force Research Laboratory
- AFRL/RXB, WPAFB, Daton, OH 45433, USA
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Molecular simulation of crystal nucleation of n-alkane melts
ORAL
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Authors
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Peng Yi
- Massachusetts Institute of Technology
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Gregory Rutledge
- Massachusetts Institute of Technology
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