First-Principles Simulations of Excited-State Phenomena: Excitons and Bethe-Salpeter Equation I
FOCUS · B59 · ID: 1067924
Presentations
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Towards a unified ab initio description of excitations and their dynamics
ORAL · Invited
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Presenters
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Claudia Draxl
Humboldt University of Berlin
Authors
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Claudia Draxl
Humboldt University of Berlin
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First-principles calculations of excitons including radiative recombination and polaritonic effects: the retarded Bethe-Salpeter equation
ORAL
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Presenters
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Zachary N Mauri
Stanford University
Authors
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Zachary N Mauri
Stanford University
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Christopher J Ciccarino
Stanford University, Harvard University
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Felipe H da Jornada
Stanford University, Stanford
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Phonon-assisted Photoluminescence and Exciton Lifetime in Solids from First Principles
ORAL
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Presenters
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Chunhao Guo
University of California, Santa Cruz
Authors
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Chunhao Guo
University of California, Santa Cruz
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Junqing Xu
University of California, Santa Cruz
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Yuan Ping
UC Santa Cruz, University of California, Santa Cruz
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Excited-state force calculations from GW/BSE and DFPT: development and application to organic metal halide perovskites
ORAL
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Presenters
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Rafael R Del Grande
University of California, Merced
Authors
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Rafael R Del Grande
University of California, Merced
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David A Strubbe
University of California, Merced
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Excitonic effects on nonlinear optical responses from first principles
ORAL
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Presenters
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Yang-hao Chan
Academia Sinica, Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei, Taiwan, Institute of Atomic and Molecular Sciences, Academia Sinica, Lawrence Berkeley National Laboratory
Authors
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Yang-hao Chan
Academia Sinica, Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei, Taiwan, Institute of Atomic and Molecular Sciences, Academia Sinica, Lawrence Berkeley National Laboratory
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Steven G Louie
University of California at Berkeley, University of California, Berkeley, University Of California, Berkeley, University of California at Berkeley and Lawrence Berkeley National Lab, University of California at Berkeley; Lawrence Berkeley National Lab, UC Berkeley, University of California at Berkeley, and Lawrence Berkeley National Laboratory, UC berkeley, Lawrence Berkeley National Laboratory, Physics Department, UC Berkeley and Lawrence Berkeley National Lab, Department of Physics, University of California at Berkeley and Materials Sciences Division, Lawrence Berkeley National Laboratory, LBNL & UC Berkeley
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Jiawei Ruan
University of California at Berkeley, and Lawrence Berkeley National Laboratory, Department of Physics, University of California, Berkeley, UC Berkeley
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Vertical excitation energies of the SiV(0) defect in diamond computed by the Spin-Flip Bethe-Salpeter Equation approach
ORAL
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Publication: arXiv:2207.04549
Presenters
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Bradford A Barker
University of California, Merced
Authors
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Bradford A Barker
University of California, Merced
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David A Strubbe
University of California, Merced
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Engineering intermediate band states in Cu-intercalated 2D transition metal chalcogenides
ORAL
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Presenters
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Chinedu E Ekuma
Lehigh University
Authors
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Srihari M Kastuar
Lehigh University
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Chinedu E Ekuma
Lehigh University
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A theoretical design of two-dimensional thermally activated delayed fluorescence material
ORAL
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Presenters
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Siyu Gao
Carnegie Mellon University
Authors
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Siyu Gao
Carnegie Mellon University
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Exchange-Driven Intermixing of Bulk and Topological Surface State by Chiral Excitons in Bi<sub>2</sub>Se<sub>3</sub>
ORAL
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Presenters
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Bowen Hou
Yale University
Authors
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Bowen Hou
Yale University
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Dan Wang
Yale University
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Bradford A Barker
University of California, Merced
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Diana Y Qiu
Yale University
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Flat-band induced excitonic insulator in a carbon-based, triangulene Kagome lattice
ORAL
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Presenters
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Jingwei Jiang
University of California, Berkeley
Authors
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Jingwei Jiang
University of California, Berkeley
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Aidan Delgado
Chemistry Department, UC Berkeley
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Carolin Dusold
Chemistry Department, UC Berkeley
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Adam Cronin
Chemistry Department, UC Berkeley
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Felix R Fischer
UC Berkeley, Chemistry Department, UC Berkeley and Lawrence Berkeley National Lab
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Steven G Louie
University of California at Berkeley, University of California, Berkeley, University Of California, Berkeley, University of California at Berkeley and Lawrence Berkeley National Lab, University of California at Berkeley; Lawrence Berkeley National Lab, UC Berkeley, University of California at Berkeley, and Lawrence Berkeley National Laboratory, UC berkeley, Lawrence Berkeley National Laboratory, Physics Department, UC Berkeley and Lawrence Berkeley National Lab, Department of Physics, University of California at Berkeley and Materials Sciences Division, Lawrence Berkeley National Laboratory, LBNL & UC Berkeley
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Excitonic near resonance-enhancement of shift currents in monolayer NbOCl2
ORAL
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Presenters
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MingRui Lai
Natl Univ of Singapore
Authors
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MingRui Lai
Natl Univ of Singapore
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Excitonic properties of monolayer and bulk hexagonal boron nitride
ORAL
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Publication: 1. Wang, P. et al. Scalable Synthesis of Monolayer Hexagonal Boron Nitride on Graphene with Giant Bandgap Renormalization. Adv. Mater. 2201387 (2022). doi:10.1002/adma.202201387<br>2. Laleyan, D. et al. Epitaxial Hexagonal Boron Nitride with High Quantum Efficiency. Photonics Research (Submitted)
Presenters
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Woncheol Lee
University of Michigan
Authors
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Woncheol Lee
University of Michigan
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Ping Wang
University of Michigan
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Qiannan Wen
University of Michigan
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Zetian Mi
University of Michigan
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Mackillo Kira
University of Michigan
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Emmanouil Kioupakis
University of Michigan
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First-Principles Study of the Doping-dependent Exciton and Trion Linewidth in Monolayer MoTe<sub>2</sub>
ORAL
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Presenters
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Supavit Pokawanvit
Stanford University
Authors
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Supavit Pokawanvit
Stanford University
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Aurelie Champagne
Lawrence Berkeley National Laboratory
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Jonah B Haber
University of California, Berkeley, Materials Sciences Division, Lawrence Berkeley National Laboratory, Lawrence Berkeley National Laboratory
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Diana Y Qiu
Yale University
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Jeffrey B Neaton
Lawrence Berkeley National Laboratory, University of California, Berkeley, Department of Physics, University of California, Berkeley; Materials Sciences Division, Lawrence Berkeley National Laboratory; Kavli Energy NanoScience Institute at Berkeley
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Felipe H da Jornada
Stanford University, Stanford
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