First-principles Modeling of Excited-state Phenomena in Materials III: Recent Advances in Excited State Formalisms

Presentations

• Electronic and optical excitations from screened range-separated hybrid density functional theory

  Invited

  March 4, 2019, 2:30 PM – March 4, 2019, 3:06 PM

  Presenters

  • Leeor Kronik

    • Weizmann Institute of Science
    • Department of Materials and Interfaces, Weizmann Institute of Science

  Authors

  • Leeor Kronik

    • Weizmann Institute of Science
    • Department of Materials and Interfaces, Weizmann Institute of Science

  View abstract →

• Screened Range-Separated Hybrid Functional and GW + GW-BSE Calculations of Prototypical Semiconductors: A Comparison

  ORAL

  March 4, 2019, 3:06 PM – March 4, 2019, 3:18 PM

  Presenters

  • Dahvyd Wing

    • Department of Materials and Interfaces, Weizmann Institute of Science

  Authors

  • Dahvyd Wing

    • Department of Materials and Interfaces, Weizmann Institute of Science

  • Jonah Haber

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

  • Roy Noff

    • Department of Materials and Interfaces, Weizmann Institute of Science

  • Bradford Barker

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

  • David Egger

    • Institute of Theoretical Physics, University of Regensburg
    • University of Regensburg

  • Ashwin Ramasubramaniam

    • Mechanical & Industrial Engineering, University of Massachusetts Amherst

  • 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

  • Leeor Kronik

    • Weizmann Institute of Science
    • Department of Materials and Interfaces, Weizmann Institute of Science

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• Transferable screened range-separated hybrids for layered materials

  ORAL

  March 4, 2019, 3:18 PM – March 4, 2019, 3:30 PM

  Presenters

  • Ashwin Ramasubramaniam

    • Mechanical & Industrial Engineering, University of Massachusetts Amherst

  Authors

  • Ashwin Ramasubramaniam

    • Mechanical & Industrial Engineering, University of Massachusetts Amherst

  • Dahvyd Wing

    • Department of Materials and Interfaces, Weizmann Institute of Science

  • Leeor Kronik

    • Weizmann Institute of Science
    • Department of Materials and Interfaces, Weizmann Institute of Science

  View abstract →

• First-principles study of bioinspired perylene diimide molecular nanowires

  ORAL

  March 4, 2019, 3:30 PM – March 4, 2019, 3:42 PM

  Presenters

  • Aliya Mukazhanova

    • Division of Materials Science and Engineering, Boston University

  Authors

  • Aliya Mukazhanova

    • Division of Materials Science and Engineering, Boston University

  • Nathan Frey

    • Department of Physics, Boston University

  • Kasidet Trerayapiwat

    • Department of Chemistry, Boston University

  • Amir Mazaheripour

    • Department of Chemical Engineering and Materials Science, University of California, Irvine

  • Andrew Bartlett

    • Department of Chemical Engineering and Materials Science, University of California, Irvine

  • Hung Nguyen

    • Department of Chemical Engineering and Materials Science, University of California, Irvine

  • Alon A. Gorodetsky

    • Department of Chemical Engineering and Materials Science, University of California, Irvine

  • Sahar Sharifzadeh

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

  View abstract →

• Phase stability of MnSe, MnTe, and VO₂ from total energies in the random phase approximation

  ORAL

  March 4, 2019, 3:42 PM – March 4, 2019, 3:54 PM

  Presenters

  • Stephan Lany

    • National Renewable Energy Laboratory
    • Materials Science, National Renewable Energy Laboratory

  Authors

  • Stephan Lany

    • National Renewable Energy Laboratory
    • Materials Science, National Renewable Energy Laboratory

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• Can exact (local) Kohn-Sham potential reproduce band gaps?: Analysis using an analytically solvable two- and three-body models

  ORAL

  March 4, 2019, 3:54 PM – March 4, 2019, 4:06 PM

  Presenters

  • Yu-ichiro Matsushita

    • Tokyo Institute of Technology

  Authors

  • Yu-ichiro Matsushita

    • Tokyo Institute of Technology

  • Taichi Kosugi

    • University of Tokyo
    • The University of Tokyo

  View abstract →

• Wannier Koopmans method for band gap calculations of extended systems

  ORAL

  March 4, 2019, 4:06 PM – March 4, 2019, 4:18 PM

  Presenters

  • Lin-Wang Wang

    • Lawrence Berkeley National Laboratory
    • Materials Sciences Division, Lawrence Berkeley National Laboratory

  Authors

  • Lin-Wang Wang

    • Lawrence Berkeley National Laboratory
    • Materials Sciences Division, Lawrence Berkeley National Laboratory

  • Mouyi Weng

    • School of Advanced Materials, Peking University, Shenzhen Graduate School

  • Feng Pan

    • School of Advanced Materials, Peking University, Shenzhen Graduate School

  View abstract →

• WITHDRAWN ABSTRACT

  COFFEE_KLATCH

  March 4, 2019, 4:18 PM – March 4, 2019, 4:30 PM

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• High-Harmonic Gereration with quantized fields: Minimal coupling of Pauli Spinors to quantized electromagnetic fields

  ORAL

  March 4, 2019, 4:30 PM – March 4, 2019, 4:42 PM

  Presenters

  • Mary-Leena Martine Tchenkoue Djouom

    • Theory, Max Planck Institute for the Structure and Dynamics of Matter (MPSD)
    • Max Planck Institute for the Structure and Dynamics of Matter

  Authors

  • Mary-Leena Martine Tchenkoue Djouom

    • Theory, Max Planck Institute for the Structure and Dynamics of Matter (MPSD)
    • Max Planck Institute for the Structure and Dynamics of Matter

  • Davis Dave Welakuh

    • Theory, Max Planck Institute for the Structure and Dynamics of Matter (MPSD)
    • Max Planck Institute for the Structure and Dynamics of Matter

  • Michael Ruggenthaler

    • Max Planck Institute for the Structure and Dynamics of Matter
    • Max-Planck Institute for the structure and dynamics of matter
    • Theory, Max Planck Institute for the Structure and Dynamics of Matter (MPSD)

  • Heiko Appel

    • Max-Planck Institute for the structure and dynamics of matter
    • Max Planck Institute for the Structure and Dynamics of Matter, Hamburg, Germany
    • Theory, Max Planck Institute for the Structure and Dynamics of Matter (MPSD)
    • Max Planck Institute for the Structure and Dynamics of Matter

  • Angel Rubio

    • Max Planck Institute for the Structure and Dynamics of Matter
    • Max Planck Institute for the Structure and Dynamics of Matter and Center for Free-Electron Laser Science
    • Max-Planck Institute for the structure and dynamics of matter
    • Max Planck Inst Structure & Dynamics of Matter
    • Max Planck Institute for the Structure and Dynamics of Matter, Hamburg, Germany
    • Universidad del País Vasco UPV/EHU and Max Planck Institute for the Structure and Dynamics of Matter
    • Theory, Max Planck Institute for the Structure and Dynamics of Matter (MPSD)

  View abstract →

• Polaritonic chemistry: The influence of mass renormalization

  ORAL

  March 4, 2019, 4:42 PM – March 4, 2019, 4:54 PM

  Presenters

  • Davis Dave Welakuh

    • Theory, Max Planck Institute for the Structure and Dynamics of Matter (MPSD)
    • Max Planck Institute for the Structure and Dynamics of Matter

  Authors

  • Davis Dave Welakuh

    • Theory, Max Planck Institute for the Structure and Dynamics of Matter (MPSD)
    • Max Planck Institute for the Structure and Dynamics of Matter

  • Mary-Leena Martine Tchenkoue Djouom

    • Theory, Max Planck Institute for the Structure and Dynamics of Matter (MPSD)
    • Max Planck Institute for the Structure and Dynamics of Matter

  • Michael Ruggenthaler

    • Max Planck Institute for the Structure and Dynamics of Matter
    • Max-Planck Institute for the structure and dynamics of matter
    • Theory, Max Planck Institute for the Structure and Dynamics of Matter (MPSD)

  • Heiko Appel

    • Max-Planck Institute for the structure and dynamics of matter
    • Max Planck Institute for the Structure and Dynamics of Matter, Hamburg, Germany
    • Theory, Max Planck Institute for the Structure and Dynamics of Matter (MPSD)
    • Max Planck Institute for the Structure and Dynamics of Matter

  • Angel Rubio

    • Max Planck Institute for the Structure and Dynamics of Matter
    • Max Planck Institute for the Structure and Dynamics of Matter and Center for Free-Electron Laser Science
    • Max-Planck Institute for the structure and dynamics of matter
    • Max Planck Inst Structure & Dynamics of Matter
    • Max Planck Institute for the Structure and Dynamics of Matter, Hamburg, Germany
    • Universidad del País Vasco UPV/EHU and Max Planck Institute for the Structure and Dynamics of Matter
    • Theory, Max Planck Institute for the Structure and Dynamics of Matter (MPSD)

  View abstract →

• First principles approaches to strong light-matter coupling

  ORAL

  March 4, 2019, 4:54 PM – March 4, 2019, 5:06 PM

  Presenters

  • Johannes Flick

    • Harvard University
    • Applied Physics, Harvard University

  Authors

  • Johannes Flick

    • Harvard University
    • Applied Physics, Harvard University

  • Prineha Narang

    • John A. Paulson School of Engineering and Applied Sciences, Harvard University
    • Harvard University
    • Applied Physics, Harvard University
    • SEAS, Harvard University

  View abstract →

• Time evolution methods for matrix-product states

  ORAL

  March 4, 2019, 5:06 PM – March 4, 2019, 5:18 PM

  Presenters

  • Sebastian Paeckel

    • Georg-August-Universität Göttingen, Institut für Theoretische Physik
    • University of Gottingen

  Authors

  • Sebastian Paeckel

    • Georg-August-Universität Göttingen, Institut für Theoretische Physik
    • University of Gottingen

  • Andreas Swoboda

    • München, Ludwig-Maximilians-Universität

  • Thomas Koehler

    • Georg-August-Universität Göttingen, Institut für Theoretische Physik
    • University of Gottingen

  • Salvatore Manmana

    • Institute for Theoretical Physics, University of Göttingen
    • Georg-August-Universität Göttingen, Institut für Theoretische Physik
    • University of Gottingen

  • Ulrich Joseph Schollwoeck

    • Department of Physics, Ludwig-Maximilians-Universität München (LMU)
    • Arnold Sommerfeld Center, Ludwig Maximilians University
    • München, Ludwig-Maximilians-Universität

  • Claudius Hubig

    • Max-Planck-Institut für Quantenoptik
    • Arnold Sommerfeld Center, Ludwig Maximilians University
    • Garching, Max-Planck-Institut für Quantenoptik

  View abstract →

• Calculating Quantum Corrections to Electronic Transport in Disordered Nanostructures

  ORAL

  March 4, 2019, 5:18 PM – March 4, 2019, 5:30 PM

  Presenters

  • Chenyi Zhou

    • Physics, McGill University

  Authors

  • Chenyi Zhou

    • Physics, McGill University

  • Hong Guo

    • Physics, McGill University

  View abstract →