Computational Methods: Multiscale Modeling

Presentations

• Coarse Molecular Dynamics Applied to the Study of Structural Transitions in Condensed Matter

  ORAL

  March 14, 2006, 11:15 AM – March 14, 2006, 11:27 AM

  Authors

  • Miguel A. Amat

    • Department of Chemical Engineering, University of Massachusetts, Amherst, MA

  • Ioannis G. Kevrekidis

    • Department of Chemical Engineering, Princeton University, Princeton, NJ

  • Dimitrios Maroudas

    • University of Massachusetts, Amherst
    • Department of Chemical Engineering, University of Massachusetts, Amherst, MA 01003-3110
    • Department of Chemical Engineering, University of Massachusetts, Amherst, MA

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• Adaptive Resolution Molecular Dynamics Scheme

  ORAL

  March 14, 2006, 11:27 AM – March 14, 2006, 11:39 AM

  Authors

  • Luigi Delle Site

  • Matej Praprotnik

  • Kurt Praprotnik

    • Max Planck Institute for Polym.Res.

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• A Multiscale Field Theory for Atomistic Multi-element Systems

  ORAL

  March 14, 2006, 11:39 AM – March 14, 2006, 11:51 AM

  Authors

  • Youping Chen

    • The George Washington University
    • George Washington University

  • James Lee

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• Wavelet-based Multiresolution Particle Methods

  ORAL

  March 14, 2006, 11:51 AM – March 14, 2006, 12:03 PM

  Authors

  • Michael Bergdorf

    • ETH Zurich

  • Petros Koumoutsakos

    • ETH Zurich
    • ETHZ

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• Multiscale model for the study of phase separation in alloys with elastic misfit

  ORAL

  March 14, 2006, 12:03 PM – March 14, 2006, 12:15 PM

  Authors

  • Danny Perez

  • Laurent Lewis

    • Universit\'e de Montr\'eal

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• Multiscale Modeling of Polymer Rheology

  ORAL

  March 14, 2006, 12:15 PM – March 14, 2006, 12:27 PM

  Authors

  • Subhranil De

  • Jacob Fish

  • Mark Shephard

  • Pawel Keblinski

    • Rensselaer Polytechnic Institute

  • Sanat K. Kumar

    • RPI
    • Rensselaer Polytechnic Institute
    • Departments of Physics and Chemical Engineering, Rensselaer Polytechnic Institute, Troy, NY 12180
    • Departments of Physics and Chemical Engineering, Rensselaer Polytechnic Institute, Troy, NY 12810
    • Chemical and Biological Engineering

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• PUPIL: A New Concept of Software Integration in Multi-scale Simulations.

  ORAL

  March 14, 2006, 12:27 PM – March 14, 2006, 12:39 PM

  Authors

  • Juan Torras-Costa

  • Erik Deumens

  • Samuel Trickey

    • University of Florida
    • Quantum Theory Project and Department of Physics, University of Florida, Gainesville, FL 32611
    • QTP, University of Florida

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• Multi-scale Simulation of Ferroelectric Properties in Perovskite Solid

  ORAL

  March 14, 2006, 12:39 PM – March 14, 2006, 12:51 PM

  Authors

  • Yajie Lei

    • George Washington University

  • James Lee

  • Youping Chen

  • Liming Xiong

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• Anisotropy of Step Stiffness and Its Implications

  ORAL

  March 14, 2006, 12:51 PM – March 14, 2006, 1:03 PM

  Authors

  • T.L. Einstein

    • University of Maryland, College Park
    • U. of Maryland, College Park

  • T. J. Stasevich

  • F. Szalma

    • U. of Maryland, College Park

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• Grain Boundary Cohesive Laws as a Function of Geometry

  ORAL

  March 14, 2006, 1:03 PM – March 14, 2006, 1:15 PM

  Authors

  • Valerie Coffman

    • Cornell University

  • James Sethna

    • Cornell University
    • Laboratory of Atomic and Solid State Physics, Cornell University

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• Water-Silica Interactions from Quantum Calculations and Non-Markovian Meta-Dynamics

  ORAL

  March 14, 2006, 1:15 PM – March 14, 2006, 1:27 PM

  Authors

  • Yingxia Wan

  • Haiping Cheng

    • University of Florida

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• POP-ART: thermodynamically correct activated event sampling in complex materials

  ORAL

  March 14, 2006, 1:27 PM – March 14, 2006, 1:39 PM

  Authors

  • M.V. Chubynsky

    • Universit\'e de Montr\'eal, Montr\'eal, QC, Canada

  • Henk Vocks

    • Universiteit Utrecht, Utrecht, The Netherlands

  • Normand Mousseau

    • Universit\'e de Montr\'eal

  • G.T. Barkema

    • Universiteit Utrecht

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• Microstructural Effects in a Fully-Resolved Simulation of 1,024 Sedimenting Spheres

  ORAL

  March 14, 2006, 1:39 PM – March 14, 2006, 1:51 PM

  Authors

  • Lorenzo Botto

  • Zhongzhen Zhang

  • Andrea Prosperetti

    • Johns Hopkins University

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• Information-Based Examination of Variable Hierarchy in Radiation Detection

  ORAL

  March 14, 2006, 1:51 PM – March 14, 2006, 2:03 PM

  Authors

  • Kim Ferris

  • Bobbie-Jo Webb-Robertson

    • Pacific Northwest National Laboratory

  • Dumont Jones

    • Proximate Technologies, LLC

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