Focus Session: Multiscale modeling--Coarse-graining in Space and Time I

Presentations

• The Theory of Ultra Coarse-graining

  COFFEE_KLATCH · Invited

  March 18, 2013, 8:00 AM – March 18, 2013, 8:36 AM

  Authors

  • Gregory Voth

    • University of Chicago

  View abstract →

• Coarse-graining with information theory and the relative entropy

  COFFEE_KLATCH · Invited

  March 18, 2013, 8:36 AM – March 18, 2013, 9:12 AM

  Authors

  • M. Scott Shell

    • University of California Santa Barbara

  View abstract →

• A Top Down Approach to Multiscale Modeling of Structured Materials

  COFFEE_KLATCH · Invited

  March 18, 2013, 9:12 AM – March 18, 2013, 9:48 AM

  Authors

  • Juan de Pablo

    • Institute for Molecular Engineering, The University of Chicago
    • University of Chicago
    • Institute for Molecular Engineering, University of Chicago
    • University of Chicago, Institute for Molecular Engineering

  View abstract →

• Coarse graining approach to First principles modeling of structural materials

  ORAL

  March 18, 2013, 9:48 AM – March 18, 2013, 10:00 AM

  Authors

  • Khorgolkhuu Odbadrakh

    • Oak Ridge National Lab
    • Oak Ridge National Laboratory
    • Oak Ridge National Laboratory, Oak Ridge, TN 37831
    • ORNL

  • Don Nicholson

    • Oak Ridge National Lab
    • Oak Ridge National Laboratory
    • Oak Ridge National laboratory
    • ORNL

  • Aurelian Rusanu

    • Oak Ridge National Laboratory
    • ORNL

  • German Samolyuk

    • Materials Science and Technology Division, Oak Ridge National Laboratory
    • Oak Ridge National Lab
    • Oak Ridge National Laboratory
    • Oak Ridge National Laboratory, Oak Ridge, TN 37831
    • ORNL

  • Yang Wang

    • Pittsburgh Supercomputing Center

  • Roger Stoller

    • ORNL

  • Xiaoguang Zhang

    • ORNL

  • George Stocks

    • ORNL

  View abstract →

• Construction of interaction models of dissipative particle dynamics by coarse-graining Lennard-Jones fluids: Evaluation of non-Markovian formulation

  ORAL

  March 18, 2013, 10:00 AM – March 18, 2013, 10:12 AM

  Authors

  • Yuta Yoshimoto

    • The University of Tokyo

  • Toshiki Mima

    • Department of mechanical engineering, University of Tokyo, Bunkyo-ku, Japan
    • The University of Tokyo

  • Akinori Fukushima

    • Tohoku University

  • Ikuya Kinefuchi

    • The University of Tokyo

  • Takashi Tokumasu

    • Tohoku University

  • Shu Takagi

    • The University of Tokyo

  • Yoichiro Matsumoto

    • The University of Tokyo

  View abstract →

• Solvation free energies of aqueous mixtures in a ``truly" open boundary simulation

  ORAL

  March 18, 2013, 10:12 AM – March 18, 2013, 10:24 AM

  Authors

  • Debashish Mukherji

    • Max-Planck Institute for Polymer Research

  • Kurt Kremer

    • Max-Planck Institute for Polymer Research

  View abstract →

• Coarse-Grained Modeling of Mixtures of Charged Macroions

  ORAL

  March 18, 2013, 10:24 AM – March 18, 2013, 10:36 AM

  Authors

  • Jun Kyung Chung

    • Department of Physics, North Dakota State University

  • Alan R. Denton

    • Department of Physics, North Dakota State University

  View abstract →

• Coarse-Grained Modeling of Colloid-Nanoparticle Mixtures

  ORAL

  March 18, 2013, 10:36 AM – March 18, 2013, 10:48 AM

  Authors

  • Alan R. Denton

    • Department of Physics, North Dakota State University

  • Jun Kyung Chung

    • Department of Physics, North Dakota State University

  View abstract →