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

FOCUS · M59 · ID: 2155724

Presentations

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

    ORAL

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    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

    View abstract →

  • Ab initio optical absorption spectra for excitonic insulators

    ORAL

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    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 BiI<sub>3</sub>: From bulk to monolayer

    ORAL

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    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

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    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

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    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

    View abstract →

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

    ORAL

    –

    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 WSe<sub>2</sub>/WS<sub>2</sub> superlattice

    ORAL

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    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

    View abstract →

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

    ORAL

    –

    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

    View abstract →

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

    ORAL

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    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

    View abstract →

  • Many-Body Enhancement of High-harmonic Generation in monolayer MoS<sub>2</sub>

    ORAL

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    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

    View abstract →

  • Light-induced shift current vortex crystals in moiré heterobilayers

    ORAL

    –

    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 →