Focus Session: Multiscale Modeling: Polymers, Nanocomposites, and Biomacromolecules

Presentations

• Aneesur Rahman Prize Talk: Dynamics of Entangled Polymer Melts: Perceptive from Molecular Dynamics Simulations

  COFFEE_KLATCH · Invited

  March 10, 2008, 8:00 AM – March 10, 2008, 8:36 AM

  Authors

  • Gary S. Grest

    Sandia National Laboratories, Albuquerque, NM, Sandia National Laboratories, Sandia National Labs, Sandia National Laboratory

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• Microrheology of Nanospheres in Rod Suspensions

  ORAL

  March 10, 2008, 8:36 AM – March 10, 2008, 8:48 AM

  Authors

  • Victor Pryamitsyn

    University of Texas at Austin

  • Venkat Ganesan

    The University of Texas at Austin, University of Texas-Austin, Department of Chemical Engineering, University of Texas at Austin, University of Texas Austin

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• Peptide binding to sheet silicate and metal nanoparticles: Insight from atomistic simulation

  ORAL

  March 10, 2008, 8:48 AM – March 10, 2008, 9:00 AM

  Authors

  • Hendrik Heinz

    University of Akron

  • Ras B. Pandey

    University of Southern Mississippi, Naval Research Laboratory and University of Southern Mississippi

  • Lawrence Drummy

    Air Force Research Laboratory, WPAFB

  • Richard A. Vaia

    Air Force Research Laboratory, Air Force Research Laboratory, WPAFB

  • Rajesh R. Naik

    Air Force Research Laboratory, WPAFB

  • Barry L. Farmer

    Air Force Research Laboratory, WPAFB, Air Force Research Laboratory

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• Adsorption-desorption of peptide chains on Au surface by a coarse-grained Monte Carlo simulation

  ORAL

  March 10, 2008, 9:00 AM – March 10, 2008, 9:12 AM

  Authors

  • Ras B. Pandey

    University of Southern Mississippi, Naval Research Laboratory and University of Southern Mississippi

  • Hendrik Heinz

    University of Akron

  • Lawrence Drummy

    Air Force Research Laboratory, WPAFB

  • Richard A. Vaia

    Air Force Research Laboratory, Air Force Research Laboratory, WPAFB

  • Rajesh R. Naik

    Air Force Research Laboratory, WPAFB

  • Barry L. Farmer

    Air Force Research Laboratory, WPAFB, Air Force Research Laboratory

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• Characterization of the translocation of polymers driven through nanopores using molecular dynamics simulations

  ORAL

  March 10, 2008, 9:12 AM – March 10, 2008, 9:24 AM

  Authors

  • Hendrick de Haan

    University of Ottawa

  • Gary W. Slater

    Department of Physics, University of Ottawa, Canada, University of Ottawa

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• Coupling of atomistic and mesoscopic scales: visualizing the translocation of biopolymers through nanopores

  ORAL

  March 10, 2008, 9:24 AM – March 10, 2008, 9:36 AM

  Authors

  • Maria Fyta

    Department of Physics, Harvard University

  • Simone Melchionna

    INFM-SOFT, Department of Physics, Universita di Roma La Sapienza, P.le A. Moro 2, 00185 Rome, Italy

  • Massimo Bernaschi

    Istituto Applicazioni Calcolo, CNR, Viale del Policlinico 137, 00161, Roma, Italy

  • Efthimios Kaxiras

    Harvard University, Department of Physics and School of Engineering and Applied Sciences, Harvard University, Department of Physics and School of Engineering and Applied Sciences, Harvard University, Cambridge, MA, USA

  • Sauro Succi

    Istituto Applicazioni Calcolo, CNR, Viale del Policlinico 137, 00161, Roma, Italy

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• Coarse-Grained Kinetic Modeling of Polymer Networks with Non-Affine Slip-Tube Behavior and Heterogeneous Microstructure

  ORAL

  March 10, 2008, 9:36 AM – March 10, 2008, 9:48 AM

  Authors

  • Brian Pasquini

    Department of Chemical and Biomolecular Engineering, Cornell University

  • Fernando Escobedo

    Cornell University, Chemical Engineering - Cornell University, Department of Chemical and Biomolecular Engineering, Cornell University

  • Yong Lak Joo

    Department of Chemical and Biomolecular Engineering, Cornell University

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• Simulating thermal transport in high contrast composite media

  ORAL

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

  Authors

  • Harshadewa S. Gunawardana

    Homer L. Dodge Department of Physics and Astronomy, The University of Oklahoma

  • Kieran Mullen

    Homer L. Dodge Department of Physics and Astronomy, The University of Oklahoma

  • Dimitrios V. Papavassiliou

    Department of Chemical Engineering, University of Oklahoma

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• Predictive Morphology Models for Crystalline Polymers

  ORAL

  March 10, 2008, 10:00 AM – March 10, 2008, 10:12 AM

  Authors

  • Jacob Harvey

    Department of Chemistry \& Chemical Biology, Rensselaer Polytechnic Institute

  • Zhicheng Xiao

    Department of Chemistry \& Chemical Biology, Rensselaer Polytechnic Institute

  • Yvonne Akpalu

    Department of Chemistry \& Chemical Biology, Rensselaer Polytechnic Institute

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• Coarse-grained Molecular Dynamics Simulations and Analysis of Poly(L-lactic Acid) (PLLA) Melt

  ORAL

  March 10, 2008, 10:12 AM – March 10, 2008, 10:24 AM

  Authors

  • Gaurav Manik

    Chemical Engg. Department, Indian Institute of Technology Bombay, Mumbai-400076, India

  • Hemant Nanavati

    Chemical Engineering, IIT Bombay, India, Chemical Engg. Department, Indian Institute of Technology Bombay, Mumbai-400076, India

  • Upendra Natarajan

    Chemical Engg. Department, Indian Institute of Technology Madras, Chennai-600036, India

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• Modeling the Thermodynamics of the Interaction of Nanoparticles with Cell Membranes

  ORAL

  March 10, 2008, 10:24 AM – March 10, 2008, 10:36 AM

  Authors

  • Valeriy Ginzburg

    The Dow Chemical Company

  • Sudhakar Balijepalli

    The Dow Chemical Company

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• Structure and dynamics of a model polymer nanocomposites

  ORAL

  March 10, 2008, 10:36 AM – March 10, 2008, 10:48 AM

  Authors

  • Monojoy Goswami

    Oak Ridge National Laboratory

  • Bobby Sumpter

    Oak Ridge National Labs, Oak Ridge National Laboratory

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• Strategies for design of polymeric nanoparticles

  ORAL

  March 10, 2008, 10:48 AM – March 10, 2008, 11:00 AM

  Authors

  • Jiwu Liu

    Michigan State University

  • Michael Mackay

    Michigan State University

  • Phillip Duxbury

    Michigan State University

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