Focus Session: Multiscale Modeling

Presentations

• The heterogeneous multiscale method: A ten-year review

  COFFEE_KLATCH · Invited

  March 2, 2012, 8:00 AM – March 2, 2012, 8:36 AM

  Authors

  • Weinan E

    • Peking University, Princeton University
    • Department of Mathematics and Program in Applied and Computational Mathematics, Princeton University
    • Princeton University

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• Progress Towards Atomistic Simulations that Reach Anthropological Timescale and Beyond

  COFFEE_KLATCH · Invited

  March 2, 2012, 8:36 AM – March 2, 2012, 9:12 AM

  Authors

  • Ju Li

    • MIT
    • Massachusetts Institute of Technology
    • Department of Nuclear Science and Engineering and Department of Materials Science and Engineering, Massachusetts Institute of Technology

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• Adaptation of multiscale thermal modeling methods to general crystalline solids

  ORAL

  March 2, 2012, 9:12 AM – March 2, 2012, 9:24 AM

  Authors

  • Brent Kraczek

    • Computational and Informational Science Directorate, US Army Research Laboratory

  • Peter Chung

    • Computational and Informational Science Directorate, US Army Research Laboratory

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• Extended Lagrangian Born-Oppenheimer Molecular Dynamics: quantum mecahnical molecular dynamics for extended time and length scales

  ORAL

  March 2, 2012, 9:24 AM – March 2, 2012, 9:36 AM

  Authors

  • Anders Niklasson

    • Los Alamos National Laboratory

  • Marc Cawkwell

    • Los Alamos National Laboratory

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• Multi scale modeling of atomic layer deposition

  ORAL

  March 2, 2012, 9:36 AM – March 2, 2012, 9:48 AM

  Authors

  • Mahdi Shirazi

    • Tyndall National Institute

  • Simon D. Elliott

    • Tyndall National Institute

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• A unified approach to preserve structure and thermodynamics in a coarse-grained model of aqueous mixtures

  ORAL

  March 2, 2012, 9:48 AM – March 2, 2012, 10:00 AM

  Authors

  • Pritam Ganguly

    • Center of Smart Interfaces, TU Darmstadt, Germany

  • Debashish Mukherji

    • Max Planck Institute for Polymer Research, Mainz, Germany

  • Christoph Junghans

    • Max Planck Institute for Polymer Research, Mainz, Germany

  • Nico van der Vegt

    • Center of Smart Interfaces, TU Darmstadt, Germany

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• Novel mesoscopic approach for modeling Carbon Nanotube System

  ORAL

  March 2, 2012, 10:00 AM – March 2, 2012, 10:12 AM

  Authors

  • Igor Ostanin

    • University of Minnesota

  • Roberto Ballarini

    • University of Minnesota

  • Traian Dumitrica

    • University of Minnesota

  • David Potyondy

    • Itasca Consulting Group Inc

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• Structure formation of toluene around C60: Application of the Adaptive Resolution Scheme

  ORAL

  March 2, 2012, 10:12 AM – March 2, 2012, 10:24 AM

  Authors

  • Christoph Junghans

    • Los Alamos National Laboratory

  • Sebastian Fritsch

    • Max Planck Institute for Polymer Research

  • Kurt Kremer

    • Max Planck Institute for Polymer Research
    • Max Planck Institue for Polymer Research, Mainz, Germany

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• Characterization of phase behavior in assemblies of colloidal nanoparticles

  ORAL

  March 2, 2012, 10:24 AM – March 2, 2012, 10:36 AM

  Authors

  • Ray Sehgal

    • Chemical Engineering, University of Massachusetts Amherst

  • Daniel Beltran-Villegas

    • Chemical and Biomolecular Engineering, Johns Hopkins University

  • Michael Bevan

    • Chemical and Biomolecular Engineering, Johns Hopkins University

  • Dimitrios Maroudas

    • Chemical Engineering, University of Massachusetts Amherst

  • David Ford

    • Chemical Engineering, University of Massachusetts Amherst

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• New algorithms for field-theoretic block copolymer simulations: Progress on using adaptive-mesh refinement and sparse matrix solvers in SCFT calculations

  ORAL

  March 2, 2012, 10:36 AM – March 2, 2012, 10:48 AM

  Authors

  • Scott Sides

    • Tech-X Research Corporation
    • Tech-X Research

  • Ben Jamroz

    • Tech-X Research

  • Robert Crockett

    • Tech-X Research

  • Alexander Pletzer

    • Tech-X Research

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• Concurrent multiscale modeling of 3D granular systems

  ORAL

  March 2, 2012, 10:48 AM – March 2, 2012, 11:00 AM

  Authors

  • Holger Meier

    • ExxonMobil Research and Engineering

  • Steven Meier

    • ExxonMobil Research and Engineering

  • Fushen Liu

    • ExxonMobil Research and Engineering

  • Peter Gordon

    • ExxonMobil Research and Engineering

  • Tuan Tran

    • ExxonMobil Technical Computing

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