Massively Parallel Simulations of Chemical, Materials and Biological Systems

Presentations

• First-principles temperature-dependent phonons and elastic constants

  COFFEE_KLATCH · Invited

  March 14, 2016, 2:30 PM – March 14, 2016, 3:06 PM

  Authors

  • Lin Yang

    • Lawrence Livermore National Laboratory, CA

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• The ReaxFF method - new applications and developments

  COFFEE_KLATCH · Invited

  March 14, 2016, 3:06 PM – March 14, 2016, 3:42 PM

  Authors

  • Adri van Duin

    • Penn State

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• Discovering chemistry with an ab initio nanoreactor

  COFFEE_KLATCH · Invited

  March 14, 2016, 3:42 PM – March 14, 2016, 4:18 PM

  Authors

  • Todd Martinez

    • Stanford University and SLAC National Accelerator Laboratory

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• Multi-petaflop/s quantum and reactive molecular dynamics simulations

  COFFEE_KLATCH · Invited

  March 14, 2016, 4:18 PM – March 14, 2016, 4:54 PM

  Authors

  • Aiichiro Nakano

    • Univ of Southern California
    • Collaboratory for Advanced Computing and Simulations
    • University of Southern California

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• Massively parallel models of human hemodynamics

  COFFEE_KLATCH · Invited

  March 14, 2016, 4:54 PM – March 14, 2016, 5:30 PM

  Authors

  • Amanda Randles

    • Duke University

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