First-principles Modeling of Excited-state Phenomena in Materials II: Many-body Perturbation Theory (Techniques and Applications)

Presentations

• Correlated multi-particle excitations: Green’s function formalism for trions and biexcitons

  Invited

  March 4, 2019, 11:15 AM – March 4, 2019, 11:51 AM

  Presenters

  • Felipe Da Jornada

    • Department of Physics, University of California, Berkeley
    • Department of Physics, University of California at Berkeley and Materials Sciences Division, Lawrence Berkeley National Laboratory
    • Physics, University of California at Berkeley
    • Lawrence Berkeley National Laboratory
    • University of California at Berkeley and Lawrence Berkeley National Laboratory
    • Physics, University of California, Berkeley
    • UC Berkeley and Lawrence Berkeley National Lab
    • Lawrence Berkeley National Lab
    • Lawrence Berkeley National Lab and University of California, Berkeley

  Authors

  • Felipe Da Jornada

    • Department of Physics, University of California, Berkeley
    • Department of Physics, University of California at Berkeley and Materials Sciences Division, Lawrence Berkeley National Laboratory
    • Physics, University of California at Berkeley
    • Lawrence Berkeley National Laboratory
    • University of California at Berkeley and Lawrence Berkeley National Laboratory
    • Physics, University of California, Berkeley
    • UC Berkeley and Lawrence Berkeley National Lab
    • Lawrence Berkeley National Lab
    • Lawrence Berkeley National Lab and University of California, Berkeley

  • Andrea Cepellotti

    • University of California, Berkeley
    • UC Berkeley and Lawrence Berkeley National Lab
    • Physics and Materials Sciences, University of California at Berkeley and Lawrence Berkeley National Laboratory

  • Steven G. Louie

    • Physics, UC Berkeley
    • University of California, Berkeley
    • Department of Physics, University of California, Berkeley
    • 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
    • Physics, University of California at Berkeley
    • University of California at Berkeley and Lawrence Berkeley National Lab
    • University of California at Berkeley and Lawrence Berkeley National Laboratory
    • Physics, University of California, Berkeley
    • UC Berkeley and Lawrence Berkeley National Lab
    • Physics, University of California - Berkeley
    • Physics and Materials Sciences, University of California at Berkeley and Lawrence Berkeley National Laboratory
    • Lawrence Berkeley National Lab and University of California, Berkeley
    • University of California - Berkeley, Lawrence Berkeley National Laboratory

  View abstract →

• Exciton-phonon coupling in bulk hexagonal boron nitride from first principles: phonon-assisted UV absorption and emission spectra

  ORAL

  March 4, 2019, 11:51 AM – March 4, 2019, 12:03 PM

  Presenters

  • Fulvio Paleari

    • Physics and Materials Science Research Unit, University of Luxembourg
    • University of Luxembourg

  Authors

  • Fulvio Paleari

    • Physics and Materials Science Research Unit, University of Luxembourg
    • University of Luxembourg

  • Henrique Miranda

    • Universite catholique de Louvain
    • Université Catholique de Louvain

  • Alejandro Molina-Sanchez

    • Institute of Materials Science, University of Valencia
    • Institute of Materials Science (ICMUV), University of Valencia
    • University of Valencia

  • Ludger Wirtz

    • Physics and Materials Science Research Unit, University of Luxembourg
    • Faculty of Science, Technology and Communication, University of Luxembourg
    • University of Luxembourg

  View abstract →

• Dynamical electronic screening and exciton binding in the Bethe-Salpeter approach

  ORAL

  March 4, 2019, 12:03 PM – March 4, 2019, 12:15 PM

  Presenters

  • Xiao Zhang

    • University of Illinois at Urbana-Champaign

  Authors

  • Xiao Zhang

    • University of Illinois at Urbana-Champaign

  • Andre Schleife

    • University of Illinois at Urbana-Champaign
    • Materials Science and Engineering, University of Illinois at Urbana-Champaign
    • Department of Materials Science and Engineering, University of Illinois at Urbana-Champaign

  View abstract →

• Understanding Excited-States of a Perylene Diimide Nanowire from First Principles Theory

  ORAL

  March 4, 2019, 12:15 PM – March 4, 2019, 12:27 PM

  Presenters

  • Tianlun Huang

    • Boston University

  Authors

  • Tianlun Huang

    • Boston University

  • Sahar Sharifzadeh

    • Boston University
    • Department of Electrical and Computer Engineering, Boston University

  View abstract →

• Structural Effects on Excitonic Phenomena in Organic Crystals

  ORAL

  March 4, 2019, 12:27 PM – March 4, 2019, 12:39 PM

  Presenters

  • Sivan Refaely-Abramson

    • Department of Materials and Interfaces, Weizmann Institute of Science
    • Lawrence Berkeley National Laboratory
    • Materials and Interfaces, Weizmann Institute of Science, Israel
    • Weizmann Institute of Science, Lawrence Berkeley National Laboratory, University of California - Berkeley

  Authors

  • Sivan Refaely-Abramson

    • Department of Materials and Interfaces, Weizmann Institute of Science
    • Lawrence Berkeley National Laboratory
    • Materials and Interfaces, Weizmann Institute of Science, Israel
    • Weizmann Institute of Science, Lawrence Berkeley National Laboratory, University of California - Berkeley

  • Jonah Haber

    • Physics, University of California Berkeley
    • Department of Physics, University of California, Berkeley
    • Physics, University of California, Berkeley

  • Felipe Da Jornada

    • Department of Physics, University of California, Berkeley
    • Department of Physics, University of California at Berkeley and Materials Sciences Division, Lawrence Berkeley National Laboratory
    • Physics, University of California at Berkeley
    • Lawrence Berkeley National Laboratory
    • University of California at Berkeley and Lawrence Berkeley National Laboratory
    • Physics, University of California, Berkeley
    • UC Berkeley and Lawrence Berkeley National Lab
    • Lawrence Berkeley National Lab
    • Lawrence Berkeley National Lab and University of California, Berkeley

  • Steven G. Louie

    • Physics, UC Berkeley
    • University of California, Berkeley
    • Department of Physics, University of California, Berkeley
    • 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
    • Physics, University of California at Berkeley
    • University of California at Berkeley and Lawrence Berkeley National Lab
    • University of California at Berkeley and Lawrence Berkeley National Laboratory
    • Physics, University of California, Berkeley
    • UC Berkeley and Lawrence Berkeley National Lab
    • Physics, University of California - Berkeley
    • Physics and Materials Sciences, University of California at Berkeley and Lawrence Berkeley National Laboratory
    • Lawrence Berkeley National Lab and University of California, Berkeley
    • University of California - Berkeley, Lawrence Berkeley National Laboratory

  • Jeffrey B Neaton

    • Molecular Foundry, Lawrence Berkeley National Lab
    • University of California, Berkeley
    • Lawrence Berkeley National Laboratory
    • Molecular Foundry, Lawrence Berkeley National Laboratory
    • Department of Physics, University of California, Berkeley
    • UC Berkeley/Lawrence Berkeley Natl Lab
    • Lawrence Berkeley National Lab, Berkeley, CA
    • Physics, University of California, Berkeley
    • Molecular Foundry, LBNL; UC Berkeley; Kavli ENSI
    • Lawrence Berkeley National Laboratory, University of California - Berkeley, Kavli Energy NanoSciences Institute at Berkeley

  View abstract →

• Computational discovery of new materials for intermolecular singlet fission in the solid state

  Invited

  March 4, 2019, 12:39 PM – March 4, 2019, 1:15 PM

  Presenters

  • Noa Marom

    • Carnegie Mellon University

  Authors

  • Noa Marom

    • Carnegie Mellon University

  View abstract →

• Phenylated Acene Derivatives as Candidates for Intermolecular Singlet Fission

  ORAL

  March 4, 2019, 1:15 PM – March 4, 2019, 1:27 PM

  Presenters

  • Xiaopeng Wang

    • Carnegie Mellon University

  Authors

  • Xiaopeng Wang

    • Carnegie Mellon University

  • Xingyu Alfred Liu

    • Carnegie Mellon University

  • Rithwik Tom

    • Carnegie Mellon University

  • Cameron Cook

    • Cal Poly Pomona

  • Bohdan Schatschneider

    • Cal Poly Pomona

  • Noa Marom

    • Carnegie Mellon University

  View abstract →

• The Spin-Flip BSE approach and applications to simple molecular systems

  ORAL

  March 4, 2019, 1:27 PM – March 4, 2019, 1:39 PM

  Presenters

  • Bradford Barker

    • Department of Physics, University of California, Berkeley
    • Physics, University of California, Merced

  Authors

  • Bradford Barker

    • Department of Physics, University of California, Berkeley
    • Physics, University of California, Merced

  • David Strubbe

    • University of California, Merced
    • Department of Physics, University of California, Merced
    • Physics, University of California, Merced

  View abstract →

• Conjugation length dependence on the electronic and optical properties of oligothiophene-F4TCNQ complexes

  ORAL

  March 4, 2019, 1:39 PM – March 4, 2019, 1:51 PM

  Presenters

  • Ana Valencia

    • Department of Physics, Humboldt-Universitaet zu Berlin, Germany

  Authors

  • Ana Valencia

    • Department of Physics, Humboldt-Universitaet zu Berlin, Germany

  • Caterina Cocchi

    • Institut fur Physik and IRIS Adlershof, Humboldt Universität zu Berlin
    • Department of Physics, Humboldt-Universitaet zu Berlin, Germany

  View abstract →

• First-principles prediction of free-electron screening of the electron-hole interaction in hybrid perovskite MAPbI₃

  ORAL

  March 4, 2019, 1:51 PM – March 4, 2019, 2:03 PM

  Presenters

  • Joshua Leveillee

    • University of Illinois at Urbana-Champaign

  Authors

  • Joshua Leveillee

    • University of Illinois at Urbana-Champaign

  • Andre Schleife

    • University of Illinois at Urbana-Champaign
    • Materials Science and Engineering, University of Illinois at Urbana-Champaign
    • Department of Materials Science and Engineering, University of Illinois at Urbana-Champaign

  View abstract →

• First-principles Studies of Tl Activated Halide Scintillator Phosphor Materials: Towards an Understanding of the Scintillation Mechanism

  ORAL

  March 4, 2019, 2:03 PM – March 4, 2019, 2:15 PM

  Presenters

  • Andrew Canning

    • Lawrence Berkeley National Laboratory

  Authors

  • Andrew Canning

    • Lawrence Berkeley National Laboratory

  • Mauro Del Ben

    • Lawrence Berkeley National Laboratory

  • Edith Bourret

    • Lawrence Berkeley National Laboratory

  View abstract →