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