Nonequilibrium Dynamics: Defects and Disordered Materials

Presentations

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

  Invited-In-person · 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 Haber

    • Stanford University

  • Mit Naik

    • University of Texas at Austin

  • Diana Qiu

    • Yale University

  • Felipe da Jornada

    • Stanford University

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

  Oral-In-person

  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 Grimes

    • University of Virginia

  Authors

  • Ryan Grimes

    • University of Virginia

  • Prasanna Balachandran

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

  Oral-In-person

  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-In-person

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

  Presenters

  • Doron Wu

    • University of Wisconsin - Madison

  Authors

  • Shimin Zhang

  • Doron Wu

    • University of Wisconsin - Madison

  • Haejung Koh

    • University of Wisconsin-Madison

  • Matthew Otten

    • University of Wisconsin - Madison

  • Yuan Ping

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

  Invited-In-person · 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-In-person

  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-In-person

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

  Presenters

  • Emily Chen

    • Stanford University

  Authors

  • Emily Chen

    • Stanford University

  • Supavit Pokawanvit

    • Stanford University

  • Jonah Haber

    • Stanford University

  • Felipe da Jornada

    • Stanford University

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

  Oral-In-person

  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 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-In-person

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

  Presenters

  • John Rehr

    • University of Washington

  Authors

  • John Rehr

    • University of Washington

  • Joshua Kas

  • Thomas Rossi

  • Moritz Meissner

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