Harnessing Exascale Computing for Condensed Matter Simulations

Presentations

• The State of Exascale Quantum Monte Carlo

  ORAL · Invited

  March 5, 2024, 8:00 AM – March 5, 2024, 8:36 AM

  Presenters

  • Paul Kent

    • Oak Ridge National Lab

  Authors

  • Paul Kent

    • Oak Ridge National Lab

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• Title: The prospect for molecular dynamics at the exascale

  ORAL · Invited

  March 5, 2024, 8:36 AM – March 5, 2024, 9:12 AM

  Presenters

  • Danny Perez

    • Los Alamos Natl Lab
    • Los Alamos National Laboratory

  Authors

  • Danny Perez

    • Los Alamos Natl Lab
    • Los Alamos National Laboratory

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• Large-scale DFT calculations for nanoarchitectonics

  ORAL · Invited

  March 5, 2024, 9:12 AM – March 5, 2024, 9:48 AM

  Publication: [1] CONQUEST website: http://ordern.github.io/
  [2] A. Nakata, J. S. Baker, S. Y. Mujahed, et al., J. Chem. Phys. 152, 164112 (2020).
  [3] A. Nakata, D. R. Bowler, and T. Miyazaki, J. Phys. Soc. Jpn. 91, 091011 (2022).
  [4] S. Li, T. Miyazaki, A. Nakata, to be submitted.

  Presenters

  • Ayako Nakata

    • National Institute for Materials Science
    • Research Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science (NIMS)

  Authors

  • Ayako Nakata

    • National Institute for Materials Science
    • Research Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science (NIMS)

  • Shengzhou Li

    • University of Tsukuba

  • David R Bowler

    • University College London

  • Tsuyoshi Miyazaki

    • National Institute for Materials Science

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• The reach of exascale architectures across the physical sciences

  ORAL · Invited

  March 5, 2024, 9:48 AM – March 5, 2024, 10:24 AM

  Presenters

  • Markus Rampp

    • Max Planck Computing and Data Facility (MPCDF), Garching bei Munchen, Germany
    • Max Planck Computing and Data Facility (MPCDF), Garching bei München, Germany

  Authors

  • Markus Rampp

    • Max Planck Computing and Data Facility (MPCDF), Garching bei Munchen, Germany
    • Max Planck Computing and Data Facility (MPCDF), Garching bei München, Germany

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• Large-scale quantum-accurate atomistic simulation of plasma-facing materials for fusion energy

  ORAL · Invited

  March 5, 2024, 10:24 AM – March 5, 2024, 11:00 AM

  Presenters

  • Mary Alice Cusentino

    • Sandia National Laboratories

  Authors

  • Mary Alice Cusentino

    • Sandia National Laboratories

  View abstract →