Excited-State Dynamics: I

Presentations

• Fully relativistic ab initio extended Hubbard interactions: energy gaps, force, and electron-phonon couplings

  ORAL · Invited

  March 17, 2025, 2:30 PM – March 17, 2025, 3:06 PM

  Presenters

  • Wooil Yang

    Korea Institute for Advanced Study

  Authors

  • Wooil Yang

    Korea Institute for Advanced Study

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• Finite-momentum Dielectric Function And Excitonic Effects From TDDFT With a Dielectrically Screened Hybrid Functional

  ORAL

  March 17, 2025, 3:06 PM – March 17, 2025, 3:18 PM

  Presenters

  • Didarul Alam

    University of Missouri

  Authors

  • Didarul Alam

    University of Missouri

  • Jiuyu Sun

    Nanjing University of Science and Technology

  • Carsten A. Ullrich

    University of Missouri

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• Non-Adiabatic Phase Transition from 2H to 1T in Transition Metal Dichalcogenides: A Real-Time Time-Dependent Density Functional Theory Study

  ORAL

  March 17, 2025, 3:18 PM – March 17, 2025, 3:30 PM

  Presenters

  • MIN CHOI

    University of California, Riverside

  Authors

  • MIN CHOI

    University of California, Riverside

  • Bryan M Wong

    University of California, Riverside

  • MAHMUT S OKYAY

    University of California, Riverside

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• Investigating the Impact of Van Hove Singularities in Exciton Dispersions

  ORAL

  March 17, 2025, 3:30 PM – March 17, 2025, 3:42 PM

  Presenters

  • Eleanor Davison

    University of Cambridge

  Authors

  • Eleanor Davison

    University of Cambridge

  • Joshua Thompson

    University of Cambridge

  • Sun-Woo Kim

    Univ of Cambridge

  • Bartomeu Monserrat

    Univ of Cambridge

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• Ab Initio Theory of Chemical Interface Damping of Surface Plasmons

  ORAL

  March 17, 2025, 3:42 PM – March 17, 2025, 3:54 PM

  Presenters

  • Jordan A Edwards

    Imperial College London

  Authors

  • Jordan A Edwards

    Imperial College London

  • Wenxuan T Tang

    Imperial College London

  • Ming Fu

    Imperial College London

  • Ross C Schofield

    Imperial College London

  • Rupert F Oulton

    Imperial College London

  • Johannes Lischner

    Imperial College London

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• Understanding the Origins of Color Polymorphism from First Principles

  ORAL

  March 17, 2025, 3:54 PM – March 17, 2025, 4:06 PM

  Presenters

  • Michal Hartstein

    Weizmann Institute of Science

  Authors

  • Michal Hartstein

    Weizmann Institute of Science

  • Leeor Kronik

    Weizmann Institute of Science

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• Abstract Withdrawn

  ORAL Withdrawn

  March 17, 2025, 4:06 PM – March 17, 2025, 4:18 PM

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• Exploring Ultrafast Thermal and Nonthermal Disordering in Semiconductors: A Nonadiabatic Quantum Molecular Dynamics Study

  ORAL

  March 17, 2025, 4:18 PM – March 17, 2025, 4:30 PM

  Publication: Ihm et al. Physical Review B 109, 174306 (2024) <br>Quantifying thermal and nonthermal contributions to disorder in ultrashort laser irradiated germanium: Nonadiabatic quantum molecular dynamics study

  Presenters

  • Yungok Ihm

    Postech

  Authors

  • Yungok Ihm

    Postech

  • Je Young Ahn

    Pohang University of Science and Technology

  • Ji Hoon Shim

    Pohang University of Science and Technology, POSTECH

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• Stabilizing Room-Temperature Superconductivity in Hydrides by Nonequilibrium Driving

  ORAL

  March 17, 2025, 4:30 PM – March 17, 2025, 4:42 PM

  Presenters

  • Chendi Xie

    Clemson University

  Authors

  • Chendi Xie

    Clemson University

  • Adam D. Smith

    University of Alabama at Birmingham

  • Haoran Yan

    Emory University

  • Wei-Chih Chen

    Clemson University

  • Yao Wang

    Clemson University, Emory University

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• Fingerprinting plasmon-exciton coupling in small plasmonic nanoparticles from an ab initio GW-BSE approach

  ORAL

  March 17, 2025, 4:42 PM – March 17, 2025, 4:54 PM

  Presenters

  • Emma Simmerman

    Stanford University

  Authors

  • Emma Simmerman

    Stanford University

  • Aaron R Altman

    Stanford University

  • Felipe H da Jornada

    Stanford University

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• Real-Space Quantification of Exciton Localization in Crystals Using Wannier Function Decomposition

  ORAL

  March 17, 2025, 4:54 PM – March 17, 2025, 5:06 PM

  Presenters

  • Zui Tao

    University of California, Berkeley

  Authors

  • Zui Tao

    University of California, Berkeley

  • Jonah B Haber

    Stanford University

  • Jeffrey B Neaton

    Dept. of Physics, UC Berkeley; Materials Sciences Division, LBNL; Kavli Energy NanoScience Institute, UC Berkeley, Lawrence Berkeley National Laboratory and UC-Berkeley, Lawrence Berkeley National Laboratory

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• Dynamics of photoexcited Janus semiconductor nanocrystals: DFT-based calculation

  ORAL

  March 17, 2025, 5:06 PM – March 17, 2025, 5:18 PM

  Presenters

  • Hadassah Blunck Griffin

    North Dakota State University

  Authors

  • Hadassah Blunck Griffin

    North Dakota State University

  • Andrei B. Kryjevski

    North Dakota State University

  • dmitri kilin

    North Dakota State University

  • Svetlana Kilina

    North Dakota State University

  View abstract →