Computational Design, Understanding and Discovery of Novel Materials V

FOCUS · S60 · ID: 2155792

Presentations

  • ORAL · Invited

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    Publication: Part of the presentation will discuss the model summarized in a published article:
    Huang, G., Montiel, D., McAuliffe, R.D., Veith, G.M. and Thornton, K., 2023. Phase-field modeling of solid-state metathesis reactions with the charge neutrality constraint. Computational Materials Science, 221, p.112080.
    Additional materials will be discussed, which are not yet in a manuscript at this time.

    Presenters

    • Katsuyo Thornton

      • University of Michigan

    Authors

    • Eymana Maria

      • University of Michigan

    • Guanglong Huang

      • University of Michigan

    • Katsuyo Thornton

      • University of Michigan

    View abstract →

  • ORAL · Invited

    –

    Publication: 1. Bradlyn et al., Nature 547, 298, (2017), Vergniory, et al., Nature 566, 480 (2019), Vergniory, et al., Science (2022).
    2. Xu et al. Nature 586, 702 (2020).
    3. Liu, et al. Nature Physics 14, 1125 (2018), Belopolski, et al., Science 365, 1278 (2019), Guin, et al. Advanced Materials 31 (2019) 1806622, Liu, et al., Science 365, 1282 (2019), Morali, et al., Science 365, 1286 (2019)

    Presenters

    • Claudia Felser

      • Max Planck Institute for Chemical Physic
      • Max Planck Institute for Chemical Physics of Solids

    Authors

    • Claudia Felser

      • Max Planck Institute for Chemical Physic
      • Max Planck Institute for Chemical Physics of Solids

    • Andrei B Bernevig

      • Princeton University

    • Maia Vergniory

      • Max Planck Institute for Chemical Physics of Solids
      • Max Planck Institute Chemical Physics of Solids

    View abstract →

  • ORAL

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    Publication: R. B. Wexler, G. S. Gautam, R. Bell, S. Shulda, N. A. Strange, J. A. Trindell, J. D. Sugar, E. Nygren, S. Sainio, A. H. McDaniel, D. Ginley, E. A. Carter, and E. B. Stechel, "Multiple and nonlocal cation redox in Ca–Ce–Ti–Mn oxide perovskites for solar thermochemical applications," Energy Environ. Sci., 16, 2550 (2023). https://doi.org/10.1039/d3ee00234a

    Presenters

    • Robert B Wexler

      • Washington University in St. Louis

    Authors

    • Robert B Wexler

      • Washington University in St. Louis

    • Sai Gautam Gopalakrishnan

      • Indian Institute of Science

    • Robert T Bell

      • National Renewable Energy Laboratory

    • Sarah Shulda

      • National Renewable Energy Laboratory

    • Nicholas A Strange

      • SLAC National Accelerator Laboratory

    • Jamie A Trindell

      • Sandia National Laboratories

    • Joshua D Sugar

      • Sandia National Laboratories

    • Eli Nygren

      • National Renewable Energy Laboratory

    • Sami Sainio

      • SLAC National Accelerator Laboratory

    • Anthony H McDaniel

      • Sandia National Laboratories

    • David S Ginley

      • National Renewable Energy Laboratory

    • Emily A Carter

      • Princeton University

    • Ellen B Stechel

      • Arizona State University

    View abstract →

  • ORAL

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    Publication: AIP Advance, 4, 127104 (2014)
    MRS Advances 8, 619-625 (2023)

    Presenters

    • Diola Bagayoko

      • Department of Mathematics and Physics, Southern University and A&M College in Baton Rouge (SUBR, Baton Rouge, Louisiana 70813, USA
      • Southern University and A&M College

    Authors

    • Diola Bagayoko

      • Department of Mathematics and Physics, Southern University and A&M College in Baton Rouge (SUBR, Baton Rouge, Louisiana 70813, USA
      • Southern University and A&M College

    • YURIY MALOZOVSKY

      • Southern University and A&M College

    View abstract →

  • ORAL

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    Publication: DOI: 10.1021/acs.cgd.3c00027

    Presenters

    • Dana O'Connor

      • Carnegie Mellon University

    Authors

    • Dana O'Connor

      • Carnegie Mellon University

    • Imanuel Bier

      • Carnegie Mellon University

    • Rithwik Tom

      • Carnegie Mellon University

    • Anna Hiszpanski

      • Lawrence Livermore National Laboratory

    • Bradley A Steele

      • Lawrence Livermore National Lab

    • Noa Marom

      • Carnegie Mellon University

    View abstract →