Focus Session: Petascale Science and Beyond: Applications and Opportunities in Materials Science and Chemistry III

Presentations

• Aneesur Rahman Prize Talk: Working at the Speed of Light

  COFFEE_KLATCH · Invited

  March 6, 2015, 8:00 AM – March 6, 2015, 8:36 AM

  Authors

  • John Joannopoulos

    • Massachusetts Institute of Technology

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• Scale-Bridging Modeling of Material Dynamics: Petascale Assessments of the Road to Exascale

  ORAL

  March 6, 2015, 8:36 AM – March 6, 2015, 8:48 AM

  Authors

  • T.C. Germann

    • Los Alamos National Laboratory
    • Los Alamos National Lab

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• Large Scale Molecular Dynamics Simulation of Polymeric Materials

  ORAL

  March 6, 2015, 8:48 AM – March 6, 2015, 9:00 AM

  Authors

  • Monojoy Goswami

    • Oak Ridge National Lab
    • Center for Nanophase Materials Sciences, Oak Ridge National Laboratory

  • Jan-Michael Carrillo

    • Oak Ridge National Lab

  • Rajeev Kumar

    • Oak Ridge National Lab
    • csmd division, Oak Ridge National Lab, 1 Bethel valley Rd, Oak Ridge, TN, 37831

  • Bobby G. Sumpter

    • Oak Ridge National Lab
    • csmd division, Oak Ridge National Lab, 1 Bethel valley Rd, Oak Ridge, TN, 37831
    • Center for Nanophase Materials Sciences, Oak Ridge National Laboratory

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• Fast Analysis of Time-Resolved Scattering Data

  ORAL

  March 6, 2015, 9:00 AM – March 6, 2015, 9:12 AM

  Authors

  • Alexander Hexemer

    • Lawrence Berkeley Lab
    • Lawrence Berkeley Natl Lab
    • ALS, Lawrence Berkeley National Lab
    • Lawrence Berkeley National Laboratory

  • Dinesh Kumar

    • Lawrence Berkeley Natl Lab

  • Singanallur Venkatakrishnan

    • Lawrence Berkeley Natl Lab

  • Abhinav Sarje

    • Lawrence Berkeley Natl Lab
    • Lawrence Berkeley National Laboratory

  • Simon Patton

    • Lawrence Berkeley Natl Lab

  • Sherry Li

    • Lawrence Berkeley Natl Lab

  • Jack Deslippe

    • Lawrence Berkeley Natl Lab
    • Lawrence Berkeley National Laboratory
    • National Energy Research Scientific Computing Center

  • Craig Tull

    • Lawrence Berkeley Natl Lab

  • Eli Dart

    • ESNET

  • Feng Liu

    • Amherst UMass
    • Lawrence Berkeley National Lab

  • Thomas Russell

    • Amherst UMass
    • Univ of Mass - Amherst
    • Department of Polymer Science and Engineering, University of Massachusetts Amherst
    • University of Massachusetts Amherst

  • Enrique Gomez

    • The Pennsylvania State University

  • Chenhui Zhu

    • Lawrence Berkeley Natl Lab
    • ALS, Lawrence Berkeley National Lab
    • Lawrence Berkeley National Laboratory

  • Eric Schaible

    • Lawrence Berkeley Natl Lab

  • Polite Stewart

    • Lawrence Berkeley Natl Lab

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• Real-time calculations of dynamical effects in x-ray spectra

  ORAL

  March 6, 2015, 9:12 AM – March 6, 2015, 9:24 AM

  Authors

  • J.J. Rehr

    • Univ of Washington
    • U. of Washington
    • U. Washington

  • J.J. Kas

    • Univ of Washington
    • U. Washington

  • A.J. Lee

    • Univ of Washington

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• Atomistic Materials Modeling on Petascale Platforms Using SNAP

  ORAL

  March 6, 2015, 9:24 AM – March 6, 2015, 9:36 AM

  Authors

  • Aidan Thompson

    • Sandia National Laboratories

  • Laura Swiler

    • Sandia National Laboratories

  • Christian Trott

    • Sandia National Laboratories

  • Stephen Foiles

    • Sandia National Laboratories

  • Garritt Tucker

    • Drexel University

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• Molecular dynamics simulation: at a crossroad between molecular biophysics and petascale computing

  ORAL

  March 6, 2015, 9:36 AM – March 6, 2015, 9:48 AM

  Authors

  • Xiaolin Cheng

    • Oak Ridge National Laboratory

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• Large-scale atomistic simulations of surface nanostructuring by short pulse laser irradiation

  ORAL

  March 6, 2015, 9:48 AM – March 6, 2015, 10:00 AM

  Authors

  • Chengping Wu

    • University of Virginia
    • Univ of Virginia

  • Maxim Shugaev

    • University of Virginia
    • Univ of Virginia

  • Leonid Zhigilei

    • University of Virginia
    • Univ of Virginia

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• Retention of hydrogen and helium in monocrystal of tungsten

  ORAL

  March 6, 2015, 10:00 AM – March 6, 2015, 10:12 AM

  Authors

  • Jack Wells

    • Oak Ridge National Laboratory, Oak Ridge, TN 37831, USA

  • Predrag Krstic

    • State University of New York, Stony Brook, NY 11794

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• Teraflops and beyond: GPU-based MD exploration of emergent phenomena

  ORAL

  March 6, 2015, 10:12 AM – March 6, 2015, 10:24 AM

  Authors

  • Dennis Rapaport

    • Bar-Ilan University

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