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, 7:00 AM – March 10, 2008, 7:36 AM

  Authors

  • Gary S. Grest

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

  View abstract →

• Microrheology of Nanospheres in Rod Suspensions

  ORAL

  March 10, 2008, 7:36 AM – March 10, 2008, 7:48 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

  View abstract →

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

  ORAL

  March 10, 2008, 7:48 AM – March 10, 2008, 8:00 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

  View abstract →

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

  ORAL

  March 10, 2008, 8:00 AM – March 10, 2008, 8:12 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

  View abstract →

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

  ORAL

  March 10, 2008, 8:12 AM – March 10, 2008, 8:24 AM

  Authors

  • Hendrick de Haan

    • University of Ottawa

  • Gary W. Slater

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

  View abstract →

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

  ORAL

  March 10, 2008, 8:24 AM – March 10, 2008, 8:36 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

  View abstract →

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

  ORAL

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

  View abstract →

• Simulating thermal transport in high contrast composite media

  ORAL

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

  View abstract →

• Predictive Morphology Models for Crystalline Polymers

  ORAL

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

  View abstract →

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

  ORAL

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

  View abstract →

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

  ORAL

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

  Authors

  • Valeriy Ginzburg

    • The Dow Chemical Company

  • Sudhakar Balijepalli

    • The Dow Chemical Company

  View abstract →

• Structure and dynamics of a model polymer nanocomposites

  ORAL

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

  Authors

  • Monojoy Goswami

    • Oak Ridge National Laboratory

  • Bobby Sumpter

    • Oak Ridge National Labs
    • Oak Ridge National Laboratory

  View abstract →

• Strategies for design of polymeric nanoparticles

  ORAL

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

  Authors

  • Jiwu Liu

    • Michigan State University

  • Michael Mackay

    • Michigan State University

  • Phillip Duxbury

    • Michigan State University

  View abstract →