Theory and Simulation II

Presentations

• Monte Carlo simulations of a coarse-grain model for block-copolymer melts: method and application

  ORAL

  March 13, 2008, 7:00 AM – March 13, 2008, 7:12 AM

  Authors

  • Francois Detcheverry

    • Univ. of Wisc. - Madison Dept. of Chem. and Biol. Eng.

  • Darin Pike

  • Paul Nealey

    • University of Wisconsin
    • Department of Chemical and Biological Engineering, University of Wisconsin-Madison, 1415 Engineering Drive, Madison, WI, 53706
    • Univ. of Wisc. - Madison Dept. of Chem. and Biol. Eng.
    • Department of Chemical and Biological Engineering, University of Wisconsin, Madison, WI 53706 USA
    • Department of Chemical and Biological Engineering, University of Wisconsin, Madison

  • Juan de Pablo

    • University of Wisconsin - Madison
    • University of Wisconsin-Madison
    • Department of Chemical and Biological Engineering, University of Wisconsin - Madison, Madison, WI 53706
    • University of Wisconsin
    • Department of Chemical and Biological Engineering, University of Wisconsin-Madison
    • Univ. of Wisc. - Madison Dept. of Chem. and Biol. Eng.

  • Marcus M\"uller

    • Institut fur Theoretische Physik, Georg-August Universitat, 37077 Goettingen, Germany
    • Institute For Theoretical Physics, Goettingen

  View abstract →

• Interaction between Polymer Grafted Particles: Self-Consistent-Field Study

  ORAL

  March 13, 2008, 7:12 AM – March 13, 2008, 7:24 AM

  Authors

  • Jaeup Kim

    • University of Reading

  • Mark Matsen

    • Department of Mathematics, Univerisity of Reading
    • University of Reading

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• Discovering Ordered Phases of Block Copolymers: A New Fourier-space Approach

  ORAL

  March 13, 2008, 7:24 AM – March 13, 2008, 7:36 AM

  Authors

  • Feng Qiu

    • Dept. of Macromolecular Science, Fudan University, Shanghai, 200433, China

  • An-Chang Shi

    • Department of Physics and Astronomy, McMater University, Hamilton, Ontario L8S 4M1, Canada
    • McMaster University
    • Dept. of Physics and Astronomy, McMaster University, Hamilton, Ontario L8S 4M1, Canada

  • Zuojun Guo

  • Hongdong Zhang

  • Yuliang Yang

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• Cylindrical phase of diblock copolymers in thin films

  ORAL

  March 13, 2008, 7:36 AM – March 13, 2008, 7:48 AM

  Authors

  • Marianne Breuer

    • Technical University of Darmstadt

  • Barbara Drossel

    • Technical University of Darmstadt

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• Cubic Micellar Crystals of $A_nB_mA_n$ Block Copolymers from MD

  ORAL

  March 13, 2008, 7:48 AM – March 13, 2008, 8:00 AM

  Authors

  • Chris Lorenz

    • Kings College London
    • Kings College, London

  • Joshua Anderson

    • Iowa State University and Ames Laboratory
    • Iowa State University and Ames Lab

  • Alex Travesset

    • Dept. of Physics and Astronomy, Iowa State Univ. and Ames Lab
    • Dept of Physics and Astronomy, Iowa State Univ
    • Iowa State University and Ames Laboratory
    • Iowa State University and Ames Lab

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• Brownian Dynamics Simulation of Kinetics of HEX Cylinders to FCC Spheres Transition in ABA Triblock Copolymer in Selective Solvent

  ORAL

  March 13, 2008, 8:00 AM – March 13, 2008, 8:12 AM

  Authors

  • Minghai Li

    • Boston University

  • Rama Bansil

    • Boston University and National Science Foundation

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• Thermal and Mechanical Properties of Polymer Nanofibers from Molecular Simulations

  ORAL

  March 13, 2008, 8:12 AM – March 13, 2008, 8:24 AM

  Authors

  • Sezen Curgul

    • MIT

  • Krystyn J. Van Vliet

    • MIT

  • Gregory Rutledge

    • Massachusetts Institute of Technology
    • MIT
    • Chemical Engineering, MIT

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• ABSTRACT WITHDRAWN

  March 13, 2008, 8:24 AM – March 13, 2008, 8:36 AM

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• Predicting glass transition temperatures from simulation studies

  ORAL

  March 13, 2008, 8:36 AM – March 13, 2008, 8:48 AM

  Authors

  • Solomon Duki

    • Case Western Reserve University

  • Philip Taylor

    • Case Western Reserve University

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• Band Structure Controlled by Chiral Imprinting

  ORAL

  March 13, 2008, 8:48 AM – March 13, 2008, 9:00 AM

  Authors

  • Adrian Reyes Cervantes

    • Universidad Nacional Autonoma de Mexico

  • P. Castro-Garay

    • Instituto Nacional de Astronom\'ia Optica y Electr\'onica

  • Ruben Ramos-Garcia

    • Instituto Nacional de Astronom\'ia Optica y Electr\'onica

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• Coarse-graining and Multiscale Modeling of Polymeric Materials

  ORAL

  March 13, 2008, 9:00 AM – March 13, 2008, 9:12 AM

  Authors

  • Ivan Lyubimov

    • University of Oregon

  • Marina Guenza

    • University of Oregon

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• Static properties of equilibrium polymers confined in ultrathin films

  ORAL

  March 13, 2008, 9:12 AM – March 13, 2008, 9:24 AM

  Authors

  • Anna Cavallo

    • Institut Charles Sadron, 6 rue Boussingault, 67083 Strasbourg, France

  • Joachim P. Wittmer

    • Institut Charles Sadron, 6 rue Boussingault, 67083 Strasbourg, France

  • Albert Johner

    • Institut Charles Sadron, 6 rue Boussingault, 67083 Strasbourg, France

  • Joerg Baschnagel

    • Institut Charles Sadron, 6 rue Boussingault, 67083 Strasbourg, France

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• Promotion of the Polyfluorene Beta-Phase: A First Principles Study

  ORAL

  March 13, 2008, 9:24 AM – March 13, 2008, 9:36 AM

  Authors

  • Elizabeth M. Lupton

    • Department of Materials Science and Engineering, University of Utah, Salt Lake City UT-84122

  • Feng Liu

    • Department of Materials Science and Engineering, University of Utah, Salt Lake City UT-84122
    • University of Utah

  • David Prendergast

    • The Molecular Foundry, Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley CA-94720
    • Molecular Foundary, Lawrence Berkeley National Laboratory
    • Lawrence Berkeley Laboratory
    • Molecular Foundry, LBNL and Physics Dept, UC Berkeley
    • Molecular Foundry, LBNL

  • Jeffrey B. Neaton

    • Molecular Foundry, LBNL
    • The Molecular Foundry, Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley CA-94720
    • Molecular Foundry, LBNL.

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• Atomic structures and electronic properties of poly(3-hexyl thiophene) on ZnO(110-1) surface.

  ORAL

  March 13, 2008, 9:36 AM – March 13, 2008, 9:48 AM

  Authors

  • Sefa Dag

    • Lawrence Berkeley National Laboratory

  • Lin-Wang Wang

    • Lawrence Berkeley National Laboratory

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• Ab initio study of a promizing class of copolymers for application to high-efficiency photovoltaics

  ORAL

  March 13, 2008, 9:48 AM – March 13, 2008, 10:00 AM

  Authors

  • Jean Fr\'ed\'eric Laprade

    • D\'epartement de physique and Regroupement qu\'eb\'ecois sur les ma\'eriaux de pointe (RQMP), Universit\'e de Montr\'eal, Canada

  • Michel C\^ot\'e

    • D\'epartement de physique and Regroupement qu\'eb\'ecois sur les ma\'eriaux de pointe (RQMP), Universit\'e de Montr\'eal, Canada

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