First Principles Modeling of Excited-State Phenomena in Materials: Excitons and BSE

Presentations

• Non-linear Optics and Exciton Condensation in Low-dimensional Materials

  ORAL · Invited

  March 6, 2024, 8:00 AM – March 6, 2024, 8:36 AM

  Publication: [1] F. Xuan, M. Lai, Y. Wu, S.Y. Quek, arXiv:2305.08345
  [2] K. Ulman, S.Y. Quek, Nano Letters, 21, 8888 (2021)

  Presenters

  • Su Ying Quek

    • Natl Univ of Singapore

  Authors

  • Su Ying Quek

    • Natl Univ of Singapore

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• Excitonic effects in nonlinear optical responses: Diagrammatic approach, exciton-state formalism and first-principles calculations

  ORAL

  March 6, 2024, 8:36 AM – March 6, 2024, 8:48 AM

  Publication: J. Ruan, Y.-H Chan, S. G. Louie, Excitonic effects in nonlinear optical responses: Exciton-state formalism and first-principles calculations. arXiv:2310.09674

  Presenters

  • Jiawei Ruan

    • University of California at Berkeley
    • UC Berkeley
    • Lawrence Berkeley National Laboratory
    • University of California at Berkeley, and Lawrence Berkeley National Laboratory

  Authors

  • Jiawei Ruan

    • University of California at Berkeley
    • UC Berkeley
    • Lawrence Berkeley National Laboratory
    • University of California at Berkeley, and Lawrence Berkeley National Laboratory

  • Yang-hao Chan

    • Academia Sinica
    • Institute of Atomic and Molecular Sciences, Academia Sinica and Physics Division, National Center for Theoretical Sciences, Taipei, Taiwan

  • Steven G Louie

    • University of California at Berkeley
    • University of California at Berkeley and Lawrence Berkeley National Laboratory
    • University of California at Berkeley, and Lawrence Berkeley National Laboratory
    • UC-Berkeley

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• Ab initio optical absorption spectra for excitonic insulators

  ORAL

  March 6, 2024, 8:48 AM – March 6, 2024, 9:00 AM

  Presenters

  • James Wu

    • University of California at Berkeley and Lawrence Berkeley National Laboratory

  Authors

  • James Wu

    • University of California at Berkeley and Lawrence Berkeley National Laboratory

  • FANG ZHANG

    • University of California at Berkeley
    • University of California at Berkeley and Lawrence Berkeley National Laboratory

  • Steven G Louie

    • University of California at Berkeley
    • University of California at Berkeley and Lawrence Berkeley National Laboratory
    • University of California at Berkeley, and Lawrence Berkeley National Laboratory
    • UC-Berkeley

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• Strongly localized exciton states in layered BiI₃: From bulk to monolayer

  ORAL

  March 6, 2024, 9:00 AM – March 6, 2024, 9:12 AM

  Presenters

  • Jorge Cervantes-Villanueva

    • University of Valencia

  Authors

  • Jorge Cervantes-Villanueva

    • University of Valencia

  • Fulvio Paleari

    • Nanoscience Institute, CNR

  • Alberto Garcia-Cristobal

    • University of Valencia

  • Davide Sangalli

    • CNR-ISM, Division of Ultrafast Processes in Materials (FLASHit), Roma
    • Istituto di Struttura della Materia-CNR (ISM-CNR)
    • Istituto di Struttura della Materia (ISM)–CNR

  • Alejandro Molina-Sanchez

    • University of Valencia

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• Inverse Design of Tetracene Polymorphs with Enhanced Singlet Fission Performance by Property-Based Genetic Algorithm Optimization

  ORAL

  March 6, 2024, 9:12 AM – March 6, 2024, 9:24 AM

  Publication: Chem. Mater. 35, 1373 (2023) DOI: 10.1021/acs.chemmater.2c03444

  Presenters

  • Siyu Gao

    • Carnegie Mellon University

  Authors

  • Noa Marom

    • Carnegie Mellon University

  • Rithwik Tom

    • Carnegie Mellon University

  • Siyu Gao

    • Carnegie Mellon University

  • Imanuel Bier

    • Carnegie Mellon University

  • Josef Michl

    • University of Colorado, Boulder

  • Kaiji Zhao

    • Carnegie Mellon University

  • Yi Yang

    • Carnegie Mellon University

  • Eric A Buchanan

    • University of Colorado, Boulder

  • Alexandr Zaykov

    • Czech Academy of Sciences

  • Zdeněk Havlas

    • Czech Academy of Sciences

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• Excitonic band topology in two-dimensional topological materials

  ORAL

  March 6, 2024, 9:24 AM – March 6, 2024, 9:36 AM

  Presenters

  • Gurjyot S Sethi

    • University of California, Berkeley

  Authors

  • Gurjyot S Sethi

    • University of California, Berkeley

  • Feng Liu

    • University of Utah

  • Steven G Louie

    • University of California at Berkeley
    • University of California at Berkeley and Lawrence Berkeley National Laboratory
    • University of California at Berkeley, and Lawrence Berkeley National Laboratory
    • UC-Berkeley

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• Ab initio GW-Bethe-Salpeter Equation Approach using Optimally Tuned Range-Separated Hybrid Functionals and Non-Uniform Reciprocal Space Sampling

  ORAL

  March 6, 2024, 9:36 AM – March 6, 2024, 9:48 AM

  Presenters

  • Stephen E Gant

    • University of California, Berkeley

  Authors

  • Stephen E Gant

    • University of California, Berkeley

  • Antonios M Alvertis

    • KBR, Inc, NASA Ames Research Center, Moffett Field, Californ
    • Lawrence Berkeley National Laboratory and NASA Ames Research Center
    • Lawrence Berkeley National Laboratory
    • KBR Inc, NASA Ames Research Center, Moffett Field, Materials Science Division, LBNL

  • Guy Ohad

    • Weizmann Institute of Science

  • Marina R Filip

    • University of Oxford

  • Zhenglu Li

    • University of Southern California

  • Leeor Kronik

    • Weizmann Institute of Science

  • Jeffrey B Neaton

    • Lawrence Berkeley National Laboratory and UC-Berkeley

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• Moiré effect on the higher-energy excitonic states in WSe₂/WS₂ superlattice

  ORAL

  March 6, 2024, 9:48 AM – March 6, 2024, 10:00 AM

  Presenters

  • Woochang Kim

    • University of California, Berkeley

  Authors

  • Woochang Kim

    • University of California, Berkeley

  • Mit H Naik

    • University of California, Berkeley

  • Steven G Louie

    • University of California at Berkeley
    • University of California at Berkeley and Lawrence Berkeley National Laboratory
    • University of California at Berkeley, and Lawrence Berkeley National Laboratory
    • UC-Berkeley

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• Effect of scattering and recombination on photocurrent in non-centrosymmetric systems from ab-initio density matrix dynamics

  ORAL

  March 6, 2024, 10:00 AM – March 6, 2024, 10:12 AM

  Presenters

  • Zihao Bai

    • University of Wisconsin-Madison

  Authors

  • Rafi Ullah

    • University of Wisconsin - Madison

  • Junqing Xu

    • University of California, Santa Cruz

  • Ravishankar Sundararaman

    • Rensselaer Polytechnic Institute

  • Yuan Ping

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

  • Zihao Bai

    • University of Wisconsin-Madison

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• Exciton-enhanced electrooptic effect in GaN: a time-dependent GW study

  ORAL

  March 6, 2024, 10:12 AM – March 6, 2024, 10:24 AM

  Presenters

  • Weichen Tang

    • University of California at Berkeley
    • University of California, Berkeley

  Authors

  • Weichen Tang

    • University of California at Berkeley
    • University of California, Berkeley

  • CHEN HU

    • University of California, Berkeley
    • Lawrence Berkeley National Laboratory

  • Jiawei Ruan

    • University of California at Berkeley
    • UC Berkeley
    • Lawrence Berkeley National Laboratory
    • University of California at Berkeley, and Lawrence Berkeley National Laboratory

  • Steven G Louie

    • University of California at Berkeley
    • University of California at Berkeley and Lawrence Berkeley National Laboratory
    • University of California at Berkeley, and Lawrence Berkeley National Laboratory
    • UC-Berkeley

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• Abstract Withdrawn

  ORAL · Withdrawn

  March 6, 2024, 10:24 AM – March 6, 2024, 10:36 AM

  View abstract →

• Many-Body Enhancement of High-harmonic Generation in monolayer MoS₂

  ORAL

  March 6, 2024, 10:36 AM – March 6, 2024, 10:48 AM

  Publication: V. Chang Lee, L. Yue, M. B. Gaarde, Y. Chan, D. Y. Qiu, In preparation

  Presenters

  • Victor C Lee

    • Yale University

  Authors

  • Victor C Lee

    • Yale University

  • Lun Yue

    • Louisiana State University

  • Mette B Gaarde

    • LOUISIANA STATE UNIVERSITY
    • Louisiana State University

  • Yang-hao Chan

    • Academia Sinica
    • Institute of Atomic and Molecular Sciences, Academia Sinica and Physics Division, National Center for Theoretical Sciences, Taipei, Taiwan

  • Diana Y Qiu

    • Yale University

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• Light-induced shift current vortex crystals in moiré heterobilayers

  ORAL

  March 6, 2024, 10:48 AM – March 6, 2024, 11:00 AM

  Presenters

  • CHEN HU

    • University of California, Berkeley
    • Lawrence Berkeley National Laboratory

  Authors

  • CHEN HU

    • University of California, Berkeley
    • Lawrence Berkeley National Laboratory

  • Mit H Naik

    • University of California, Berkeley

  • Yang-hao Chan

    • Academia Sinica
    • Institute of Atomic and Molecular Sciences, Academia Sinica and Physics Division, National Center for Theoretical Sciences, Taipei, Taiwan

  • Jiawei Ruan

    • University of California at Berkeley
    • UC Berkeley
    • Lawrence Berkeley National Laboratory
    • University of California at Berkeley, and Lawrence Berkeley National Laboratory

  • Steven G Louie

    • University of California at Berkeley
    • University of California at Berkeley and Lawrence Berkeley National Laboratory
    • University of California at Berkeley, and Lawrence Berkeley National Laboratory
    • UC-Berkeley

  View abstract →