First-Principles Modeling of Excited-State Phenomena in Materials V: GW+BSE for Organic Materials
FOCUS · G39 · ID: 354752
Presentations
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Reproducibility, precision and accuracy in GW calculations
Invited
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Presenters
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Michiel van Setten
- IMEC
Authors
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Michiel van Setten
- IMEC
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Solving the Bethe-Salpeter Equation on a Subspace: Approximations and Consequences for Band-Edge and Core-Level Excitons in Quasi Low-dimensional Materials
ORAL
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Presenters
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Diana Qiu
- Department of Mechanical Engineering and Materials Science, Yale University
- Physics, Unviersyt of Calfornia, Berkeley
- Yale University
- Mechanical Engineering and Materials Science, Yale University
- University of California, Berkeley
Authors
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Diana Qiu
- Department of Mechanical Engineering and Materials Science, Yale University
- Physics, Unviersyt of Calfornia, Berkeley
- Yale University
- Mechanical Engineering and Materials Science, Yale University
- University of California, Berkeley
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Felipe H. da Jornada
- Physics, Unviersyt of Calfornia, Berkeley
- Materials Science, Stanford University
- University of California, Berkeley
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Steven Louie
- University of California at Berkeley, and Lawrence Berkeley National Laboratory
- Department of Physics, University of California, Berkeley, Berkeley, California 94720, USA and Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, C
- University of California, Berkeley
- Department of Physics, University of California, Berkeley
- Lawrence Berkeley National Laboratory and University of California at Berkeley
- Department of Physics, University of California at Berkeley and Lawrence Berkeley National Laboratory
- Department of Physics, UC Berkeley
- Physics, Unviersyt of Calfornia, Berkeley
- Physics, University of California, Berkeley
- Physics, University of California, Berkeley and Lawrence Berkeley National Lab
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Pyrene-Stabilized Acenes as Intermolecular Singlet Fission Candidates: Importance of Exciton Wave-Function Convergence
ORAL
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Presenters
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Xingyu Alfred Liu
- Carnegie Mellon University
Authors
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Xingyu Alfred Liu
- Carnegie Mellon University
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Rithwik Tom
- Carnegie Mellon University
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Xiaopeng Wang
- Carnegie Mellon University
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Bohdan Schatschneider
- Cal-Poly Pomona
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Noa Marom
- Carnegie Mellon University
- Carnegie Mellon Univ
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An energetics perspective on why there are so few triplet-triplet annihilation emitters
ORAL
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Presenters
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Noa Marom
- Carnegie Mellon University
- Carnegie Mellon Univ
Authors
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Xiaopeng Wang
- Carnegie Mellon University
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Rithwik Tom
- Carnegie Mellon University
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Xingyu Alfred Liu
- Carnegie Mellon University
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Noa Marom
- Carnegie Mellon University
- Carnegie Mellon Univ
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Analysis of Excitons in Stacked Perylene Diimide Derivatives
ORAL
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Presenters
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Kasidet Jing Trerayapiwat
- Department of Chemistry, Boston University
Authors
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Kasidet Jing Trerayapiwat
- Department of Chemistry, Boston University
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Aliya Mukazhanova
- Materials Science and Engineering, Boston University
- Division of Materials Science and Engineering, Boston University
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Sahar Sharifzadeh
- Boston University
- Boston Univ
- Department of Electrical and Computer Engineering, Boston University
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First-principles G<sub>0</sub>W<sub>0</sub> calculations for ferrocene, anthracene and porphyrin
ORAL
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Presenters
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Masoud Mansouri
- Centro de Física de Materiales-MPC (CSIC-UPV/EHU)
Authors
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Masoud Mansouri
- Centro de Física de Materiales-MPC (CSIC-UPV/EHU)
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Peter Koval
- Donostia International Physics Center (DIPC)
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Daniel Sanchez-Portal
- Centro de Física de Materiales-MPC (CSIC-UPV/EHU)
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Exciton temperature dependence dictated by localization in organic semiconductors
ORAL
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Presenters
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Antonios Alvertis
- Univ of Cambridge
Authors
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Antonios Alvertis
- Univ of Cambridge
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Richard H. Friend
- Univ of Cambridge
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Akshay Rao
- Department of Physics, University of Cambridge
- University of Cambridge, Cavendish Laboratory
- Univ of Cambridge
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Alex W. Chin
- Sorbonne University
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Bartomeu Monserrat
- Univ of Cambridge
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Probing energy transfer design principles in photosynthetic light harvesting systems with predictive electronic structure calculations
ORAL
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Presenters
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Caroline McKeon
- University of California, Berkeley
Authors
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Caroline McKeon
- University of California, Berkeley
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Samia M Hamed
- University of California, Berkeley
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Chenchen Song
- Lawrence Berkeley National Laboratory
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Jeffrey B Neaton
- Lawrence Berkeley National Laboratory
- Physics, UC Berkeley
- Kavli Energy Nanoscience Institute at Berkeley
- Physics, University of California, Berkeley
- Department of Physics, University of California, Berkeley
- University of California, Berkeley; Molecular Foundry, Lawrence Berkeley National Laboratory; Kavli Energy Nanosciences Institute at Berkeley
- University of California, Berkeley
- Lawrence Berkeley National Lab
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Exciton coherence times and diffusion constants in molecular crystals from exciton-phonon coupling with an ab initio GW-BSE approach
ORAL
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Presenters
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Jonah Haber
- Physics, UC Berkeley
- Physics, University of California, Berkeley
Authors
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Jonah Haber
- Physics, UC Berkeley
- Physics, University of California, Berkeley
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Felipe Da Jornada
- Materials Science and Engineering, Stanford University
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Sivan Refaely-Abramson
- Department of Materials and Interfaces, Weizmann Institute of Science
- Materials and Interfaces, Weizmann Institute of Science
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Gabriel Antonius
- Hydrogen Research Institute, Université du Québec à Trois-Rivières
- Département de Chimie, Biochimie et Physique, Université du Québec à Trois-Rivières, Trois-Rivières
- Hydrogen Research Institute, Université du Québec à Trois-Riviéres
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Steven Louie
- University of California at Berkeley, and Lawrence Berkeley National Laboratory
- Department of Physics, University of California, Berkeley, Berkeley, California 94720, USA and Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, C
- University of California, Berkeley
- Department of Physics, University of California, Berkeley
- Lawrence Berkeley National Laboratory and University of California at Berkeley
- Department of Physics, University of California at Berkeley and Lawrence Berkeley National Laboratory
- Department of Physics, UC Berkeley
- Physics, Unviersyt of Calfornia, Berkeley
- Physics, University of California, Berkeley
- Physics, University of California, Berkeley and Lawrence Berkeley National Lab
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Jeffrey B Neaton
- Lawrence Berkeley National Laboratory
- Physics, UC Berkeley
- Kavli Energy Nanoscience Institute at Berkeley
- Physics, University of California, Berkeley
- Department of Physics, University of California, Berkeley
- University of California, Berkeley; Molecular Foundry, Lawrence Berkeley National Laboratory; Kavli Energy Nanosciences Institute at Berkeley
- University of California, Berkeley
- Lawrence Berkeley National Lab
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Effects of dynamical lattice screening on excitonic and optical properties of polar compounds
ORAL
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Presenters
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Joshua Leveillee
- University of Illinois at Urbana-Champaign
Authors
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Joshua Leveillee
- University of Illinois at Urbana-Champaign
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Xiao Zhang
- University of Illinois at Urbana-Champaign
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Andre Schleife
- University of Illinois Urbana-Champaign
- Materials Science and Engineering, University of Illinois at Urbana-Champaign
- University of Illinois at Urbana-Champaign
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Structural and Electronic Properties of the NAI-DMAC Organic Emitting Diode: A Thermally Activated Delayed Fluorescence Compound
ORAL
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Presenters
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Tommaso Francese
- University of Chicago
Authors
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Tommaso Francese
- University of Chicago
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Francois Gygi
- University of California, Davis
- University of California Davis
- University of Chicago
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Giulia Galli
- University of Chicago
- Pritzker School of Molecular Engineering, University of Chicago
- Pritzker School of Molecular Engineering, University of Chicago, Chicago, IL 60637, USA
- University of Chicago and Argonne National Laboratory
- Pritzker School of Molecular Engineering, The University of Chicago
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Predictive and Tractable GW Approach for Energy Level Alignment at Organic-Inorganic Interfaces with Significant Charge Transfer
ORAL
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Presenters
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Nicholas Lin Quan Cheng
- Natl Univ of Singapore
Authors
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Nicholas Lin Quan Cheng
- Natl Univ of Singapore
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Fengyuan Xuan
- Natl Univ of Singapore
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Su Ying Quek
- Natl Univ of Singapore
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Electronic structure of semiconductor nanoparticles from stochastic evaluation of imaginary-time path integral: nonrelativistic U(1) lattice gauge theory in the Kohn-Sham basis
ORAL
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Presenters
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Andrei Kryjevski
- North Dakota State Univ
- Department of Physics, North Dakota State University
Authors
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Andrei Kryjevski
- North Dakota State Univ
- Department of Physics, North Dakota State University
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