Ultrafast Dynamics from Electron-Phonon Interactions II

Presentations

• Ab Initio Investigations on the Quantum Dynamics of Excited Carriers in Condensed Matter Systems

  ORAL · Invited

  March 7, 2024, 4:00 PM – March 7, 2024, 4:36 PM

  Presenters

  • Jin Zhao

    University of Science and Technology of China

  Authors

  • Jin Zhao

    University of Science and Technology of China

  • Zhenfa Zheng

    University of Science & Technology of China

  • Qijing Zheng

    University of Science & Technology of China

  • Xiang Jiang

    University of Science & Technology of China

  • Oleg Prezhdo

    University of Southern California

  • Yongliang Shi

    University of Science & Technology of China

  • Jinjian Zhou

    Beijing institute of technology

  View abstract →

• Implementation of velocity-gauge RT-TDDFTB Ehrenfest dynamics

  ORAL

  March 7, 2024, 4:36 PM – March 7, 2024, 4:48 PM

  Publication: https://arxiv.org/abs/2308.09782

  Presenters

  • Qiang Xu

    university of california, riverside

  Authors

  • Qiang Xu

    university of california, riverside

  • Bryan M Wong

    University of California, Riverside

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• AB-G₀W₀: An efficient G₀W₀ method without frequency integration based on an auxiliary boson expansion

  ORAL

  March 7, 2024, 4:48 PM – March 7, 2024, 5:00 PM

  Presenters

  • Johannes F Tölle

    Caltech

  Authors

  • Johannes F Tölle

    Caltech

  • Garnet Chan

    Caltech, CalTech

  View abstract →

• Creating Bloch-Floquet states with partially coherent driving fields

  ORAL

  March 7, 2024, 5:00 PM – March 7, 2024, 5:12 PM

  Presenters

  • Jonah B Haber

    Stanford University, Lawrence Berkeley National Laboratory

  Authors

  • Jonah B Haber

    Stanford University, Lawrence Berkeley National Laboratory

  • Christopher J Ciccarino

    Stanford University

  • Felipe H da Jornada

    Stanford University

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• First principles calculation using multiple scattering theory at the exascale.

  ORAL

  March 7, 2024, 5:12 PM – March 7, 2024, 5:24 PM

  Publication: Budiardja, R.D. et al. (2023). Ready for the Frontier: Preparing Applications for the World's First Exascale System. In: Bhatele, A., Hammond, J., Baboulin, M., Kruse, C. (eds) High Performance Computing. ISC High Performance 2023. Lecture Notes in Computer Science, vol 13948. Springer, Cham. https://doi.org/10.1007/978-3-031-32041-5_10
  
  Bauman, P.T., Budiardja, R.D., Bykov, D., Chalmers, N., Chen, J., Curtis, N., Day, M., Eisenbach, M., Esclapez, L., Fanfarillo, A. and Freitag, W., 2023. Experiences Readying Applications for Exascale. arXiv preprint arXiv:2310.01586.

  Presenters

  • Markus Eisenbach

    Oak Ridge National Laboratory

  Authors

  • Markus Eisenbach

    Oak Ridge National Laboratory

  • Yang Wang

    Pittsburgh Supercomput Ctr

  • Franco Moitzi

    Materials Center Leoben Forschung GmbH (

  • Vishnu Raghuraman

    Carnegie Mellon University

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• Coherent-to-incoherent crossover in the ultrafast dynamics of electrons and phonons in photoexcited 2D materials

  ORAL · Invited

  March 7, 2024, 5:24 PM – March 7, 2024, 6:00 PM

  Publication: [1] G. Stefanucci, R. van Leeuwen, and E. Perfetto Phys. Rev. X, 13, 031026 (2023).
  [2] E. Perfetto, Y. Pavlyukh, G. Stefanucci, Phys. Rev. Lett. 128, 016801 (2022).
  [3] D. Karlsson, R. van Leeuwen, Y. Pavlyukh, E. Perfetto, and G. Stefanucci, Phys. Rev. Lett. 127, 036402 (2021).
  [4] E. Perfetto and G. Stefanucci, Nano Letters 23, 7029 (2023).
  [5] E. Perfetto, K. Wu and G. Stefanucci, submitted.

  Presenters

  • Enrico Perfetto

    University of Roma, University of Roma Tor Vergata

  Authors

  • Enrico Perfetto

    University of Roma, University of Roma Tor Vergata

  • Gianluca Stefanucci

    University of Roma

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• Quantum MASALA: Quantum MAterialS Ab initio eLectronic-structure pAckage

  ORAL

  March 7, 2024, 6:00 PM – March 7, 2024, 6:12 PM

  Publication: Quantum MASALA: Quantum MAterialS Ab initio eLectronic-structure pAckage, Shri Hari Soundararaj, Agrim Sharma and Manish Jain, arXiv:2308.07277

  Presenters

  • Manish Jain

    Indian Institute of Science Bangalore

  Authors

  • Manish Jain

    Indian Institute of Science Bangalore

  • Shri Hari Soundararaj

    Indian Institute of Science, Bangalore

  • Agrim Sharma

    Indian Institute of Science, Bangalore

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• An Expressway towards Heaven: High-Throughput Hybrid Density Functional Theory for Complex Condensed-Phase Systems Containing Thousands of Atoms using SeA

  ORAL

  March 7, 2024, 6:12 PM – March 7, 2024, 6:24 PM

  Publication: H.-Y. Ko, M. F. Calegari Andrade, Z. M. Sparrow, J. Zhang, and R. A. Jr. DiStasio, "High-Throughput Condensed-Phase Hybrid Density Functional Theory for Large-Scale Finite-Gap Systems: The SeA Approach," J. Chem. Theory Comput. 19, 4182 (2023).

  Presenters

  • Hsin-Yu Ko

    Cornell University

  Authors

  • Hsin-Yu Ko

    Cornell University

  • Marcos F Calegari Andrade

    Princeton University

  • Zachary M Sparrow

    Cornell University

  • Ju-an Zhang

    Cornell University

  • Robert A Distasio

    Cornell University

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• Ab initio prediciton of vacuum propagating electronic states: a truncated Green's function approach for use with plane-wave density-functional theory software

  ORAL

  March 7, 2024, 6:24 PM – March 7, 2024, 6:36 PM

  Presenters

  • Tyler Wu

    Cornell University

  Authors

  • Tyler Wu

    Cornell University

  • Johannes Kevin Nangoi

    University of California, Santa Barbara

  • Tomas A Arias

    Cornell University

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• Direct Computation of Berry Phase and Polarizations in Solids by Auxiliary Field Quantum Monte Carlo

  ORAL

  March 7, 2024, 6:36 PM – March 7, 2024, 6:48 PM

  Presenters

  • Shiwei Zhang

    Simons Foundation, Flatiron Institute

  Authors

  • Siyuan Chen

    University of Chicago

  • Shiwei Zhang

    Simons Foundation, Flatiron Institute

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• Quantitative characterization of flat band states in a molecular orbital model via hyperuniformity

  ORAL

  March 7, 2024, 6:48 PM – March 7, 2024, 7:00 PM

  Presenters

  • Takumi Kuroda

    University of Tsukuba

  Authors

  • Takumi Kuroda

    University of Tsukuba

  • Tomonari Mizoguchi

    University of Tsukuba

  • Yasuhiro Hatsugai

    University of Tsukuba, Univ. of Tsukuba

  View abstract →