Nonequilibrium Dynamics: Defects and Disordered Materials

Presentations

• Exciton-defect interaction and optical properties from a first-principles T-matrix approach

  ORAL · Invited

  March 18, 2026, 3:30 PM – March 18, 2026, 4:06 PM

  Publication: https://arxiv.org/pdf/2505.15523

  Presenters

  • Yang-Hao Chan

    • Academia Sinica

  Authors

  • Yang-Hao Chan

    • Academia Sinica

  • Jonah B Haber

    • Stanford University
    • Dept. of Materials Science and Engineering, Stanford University

  • Mit H. Naik

    • University of Texas at Austin
    • University of California, Berkeley

  • Diana Y Qiu

    • Yale University

  • Felipe H da Jornada

    • Stanford University

  View abstract →

• Optical Absorption and Excitonic States in Ytterbium-based Oxides: Role of Local Symmetry and Disorder

  ORAL

  March 18, 2026, 4:06 PM – March 18, 2026, 4:18 PM

  Publication: R. Grimes and P. Balachandran, "Optical Absorption and Excitonic States in Ytterbium-based Oxides: Role of Local Symmetry and Disorder," in preparation (2025).

  Presenters

  • Ryan T Grimes

    • University of Virginia

  Authors

  • Ryan T Grimes

    • University of Virginia

  • Prasanna V Balachandran

    • University of Virginia

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• Charge Trapping Dynamics in Amorphous Silicon Nitride: A Nonadiabatic TDDFT-MD Perspective

  ORAL

  March 18, 2026, 4:18 PM – March 18, 2026, 4:30 PM

  Presenters

  • Yungok Ihm

    • POSTECH

  Authors

  • Yungok Ihm

    • POSTECH

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• Semistochastic Heat-Bath Configuration Interaction and Coulomb Truncation for Quantum Defect Embedding Theory in Wide-Bandgap Semiconductors

  ORAL

  March 18, 2026, 4:30 PM – March 18, 2026, 4:42 PM

  Presenters

  • Doron Wu

    • University of Wisconsin - Madison

  Authors

  • Shimin Zhang

    • University of Wisconsin - Madison

  • Doron Wu

    • University of Wisconsin - Madison

  • Haejung Koh

    • University of Wisconsin - Madison
    • University of Wisconsin-Madison

  • Matthew Otten

    • University of Wisconsin - Madison

  • Yuan Ping

    • University of Wisconsin Madison
    • University of Wisconsin - Madison
    • University of Wisconsin-Madison

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• Real-time TDDFT for Simulation Nonequilibrium Electron Dynamics: Recent Developments and Application

  ORAL · Invited

  March 18, 2026, 4:42 PM – March 18, 2026, 5:18 PM

  Publication: [1] Real-Time TDDFT for Simulating Nonequilibrium Electron Dynamics
  J. Xu, T. E. Carney, R. Zhou, C. Shepard, Y. Kanai
  J. Am. Chem. Soc. 146, 5011 (2024)

  Presenters

  • Yosuke Kanai

    • University of North Carolina at Chapel Hill

  Authors

  • Yosuke Kanai

    • University of North Carolina at Chapel Hill

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• Excited state properties of point defects in semiconductors and insulators using TD-DFT with dielectric-dependent range-separated hybrid functionals

  ORAL

  March 18, 2026, 5:18 PM – March 18, 2026, 5:30 PM

  Presenters

  • Jiawei Zhan

    • University of Chicago

  Authors

  • Jiawei Zhan

    • University of Chicago

  • Giulia Galli

    • University of Chicago

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• Exciton Auger-Meitner recombination from first-principles

  ORAL

  March 18, 2026, 5:30 PM – March 18, 2026, 5:42 PM

  Presenters

  • Emily Yan Chen

    • Stanford University

  Authors

  • Emily Yan Chen

    • Stanford University

  • Supavit Pokawanvit

    • Stanford University

  • Jonah B Haber

    • Stanford University
    • Dept. of Materials Science and Engineering, Stanford University

  • Felipe H da Jornada

    • Stanford University

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• High Throughput Calculation of Auger Meitner Coefficients in III-V Semiconductors

  ORAL

  March 18, 2026, 5:42 PM – March 18, 2026, 5:54 PM

  Presenters

  • Shinjan Mandal

    • University of Michigan

  Authors

  • Shinjan Mandal

    • University of Michigan

  • Amanda Wang

    • University of Michigan

  • Kyle M Bushick

    • Lawrence Livermore National Laboratory

  • Emmanouil Kioupakis

    • University of Michigan

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• Real-space Green's function approach for Diffraction Anomalous Fine Structure at finite temperature

  ORAL

  March 18, 2026, 5:54 PM – March 18, 2026, 6:06 PM

  Presenters

  • John J Rehr

    • University of Washington

  Authors

  • John J Rehr

    • University of Washington

  • Joshua J Kas

    • University of Washington

  • Thomas C Rossi

    • Helmholtz-Zentrum Berlin fur Materialien und Energie

  • Moritz Meissner

    • Paul-Drude Institute for Solid State Electronics

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