Coarse-graining, Advanced Sampling and Multiscale Methods in Soft Matter

Presentations

• Long-time atomistic simulations with the Parallel Replica Dynamics method

  COFFEE_KLATCH · Invited

  March 16, 2016, 8:00 AM – March 16, 2016, 8:36 AM

  Authors

  • Danny Perez

    • Los Alamos National Laboratory

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• Investigating the impact of representation upon coarse-grained models

  ORAL

  March 16, 2016, 8:36 AM – March 16, 2016, 8:48 AM

  Authors

  • Thomas Foley

    • Pennsylvania State University

  • M Scott Shell

    • University of California, Santa Barbara

  • William Noid

    • Pennsylvania State University

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• Non-Markovian coarse-grained modeling of polymeric fluids based on the Mori-Zwanzig formalism

  ORAL

  March 16, 2016, 8:48 AM – March 16, 2016, 9:00 AM

  Authors

  • Zhen Li

    • Brown University

  • Xin Bian

    • Brown University

  • Xiantao Li

    • Pennsylvania State University

  • George Karniadakis

    • Brown University

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• \textbf{A new graph-matching-based algorithm to study dynamical processes}

  ORAL

  March 16, 2016, 9:00 AM – March 16, 2016, 9:12 AM

  Authors

  • Fausto Martelli

    • Department of Chemistry, Princeton University
    • Princeton University

  • Hsin-Yu Ko

    • Princeton University

  • Roberto Car

    • Princeton University

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• HOMOGENOUS NUCLEATION AND CRYSTAL GROWTH IN A MODEL LIQUID FROM DIRECT ENERGY LANDSCAPE SAMPLING SIMULATION

  ORAL

  March 16, 2016, 9:12 AM – March 16, 2016, 9:24 AM

  Authors

  • Nathan Walter

    • University of Illinois at Champaign-Urbana

  • Yang Zhang

    • University of Illinois at Champaign-Urbana

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• Dynamical Density Functional Theory and Hydrodynamic Interactions in Confined Systems

  ORAL

  March 16, 2016, 9:24 AM – March 16, 2016, 9:36 AM

  Authors

  • Benjamin Goddard

    • University of Edinburgh

  • Serafim Kalliadasis

    • Imperial College London

  • Andreas Nold

    • Imperial College London

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• Nondecaying hydrodynamic interactions along narrow channels

  ORAL

  March 16, 2016, 9:36 AM – March 16, 2016, 9:48 AM

  Authors

  • Karolis Misiunas

    • University of Cambridge

  • Stefano Pagliara

    • University of Cambridge

  • Eric Lauga

    • University of Cambridge

  • John R Lister

    • University of Cambridge

  • Ulrich Keyser

    • University of Cambridge

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• Topological properties and edge mode effects in classical thermal transport

  ORAL

  March 16, 2016, 9:48 AM – March 16, 2016, 10:00 AM

  Authors

  • Chih-Chun Chien

    • Univ of California - Merced
    • University of California, Merced

  • K. A. Velizhanin

    • Los Alamos National Laboratory
    • Los Alamos Natl Lab

  • Yonatan Dubi

    • Ben Gurion University, Israel

  • Micael Zwolak

    • National Institute of Science and Technologies

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• Durability of Long Equipartition Times In Anharmonic Oscillator Chains

  ORAL

  March 16, 2016, 10:00 AM – March 16, 2016, 10:12 AM

  Authors

  • Christopher Watenpool

    • Youngstown State University

  • Donald Priour

    • Youngstown State University

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• ABSTRACT WITHDRAWN

  March 16, 2016, 10:12 AM – March 16, 2016, 10:24 AM

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• Langevin Equation for DNA Dynamics

  ORAL

  March 16, 2016, 10:24 AM – March 16, 2016, 10:36 AM

  Authors

  • David Grych

    • Univ of Oregon Dept. of Physics

  • Jeremy Copperman

    • Univ of Oregon Dept. of Physics

  • Marina Guenza

    • Univ of Oregon Dept. of Chemistry

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• Improving the kinetics from molecular simulations using biased Markov state models

  ORAL

  March 16, 2016, 10:36 AM – March 16, 2016, 10:48 AM

  Authors

  • Joseph F Rudzinski

    • Max Planck Institute for Polymer Research

  • Kurt Kremer

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

  • Tristan Bereau

    • Max Planck Institute for Polymer Research

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• Multiscale Modeling of the Electrocaloric Effect in PVDF-based Polymers

  ORAL

  March 16, 2016, 10:48 AM – March 16, 2016, 11:00 AM

  Authors

  • Alan McGaughey

    • Carnegie Mellon University
    • Carnegie Mellon Univ
    • Department of Mechanical Engineering, Carnegie Mellon University

  • Ying-Ju Yu

    • Carnegie Mellon University

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