First-principles Modeling of Excited-State Phenomena in Materials III: Phonons, Spins, Dynamics

Presentations

• BSE and time dependent DFT beyond the Tamm-Dancoff approximation: diagonalization versus time evolution

  Invited

  March 5, 2018, 2:30 PM – March 5, 2018, 3:06 PM

  Presenters

  • Georg Kresse

    • Faculty of Physics and Center for Computational Materials Science, University of Vienna
    • Faculty of Physics, University of Vienna

  Authors

  • Georg Kresse

    • Faculty of Physics and Center for Computational Materials Science, University of Vienna
    • Faculty of Physics, University of Vienna

  View abstract →

• Treating charge-neutral excitations using geminal-screened electron-hole interaction kernel in the Bethe-Salpeter and TDDFT formulations

  ORAL

  March 5, 2018, 3:06 PM – March 5, 2018, 3:18 PM

  Presenters

  • Mike Bayne

    • Chemistry, Syracuse Univ

  Authors

  • Mike Bayne

    • Chemistry, Syracuse Univ

  • Arindam Chakraborty

    • Chemistry, Syracuse Univ

  View abstract →

• A budget way to non-adiabatic molecular dynamics

  ORAL

  March 5, 2018, 3:18 PM – March 5, 2018, 3:30 PM

  Presenters

  • Thomas Niehaus

    • Institut Lumière Matière, Université Claude Bernard Lyon 1

  Authors

  • Thomas Niehaus

    • Institut Lumière Matière, Université Claude Bernard Lyon 1

  View abstract →

• Thermodynamic Properties of the Electron Gas from the Cumulant Green’s Function Approach

  ORAL

  March 5, 2018, 3:30 PM – March 5, 2018, 3:42 PM

  Presenters

  • Joshua Kas

    • Univ of Washington

  Authors

  • Joshua Kas

    • Univ of Washington

  • John Rehr

    • Univ of Washington

  • Tyler Blanton

    • Univ of Washington

  • Tun Tan

    • Univ of Washington

  View abstract →

• Lattice vibrational effects on single- and multiexciton phenomena in organic crystals from a first principles Green’s function approach

  ORAL

  March 5, 2018, 3:42 PM – March 5, 2018, 3:54 PM

  Presenters

  • Jonah Haber

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

  Authors

  • Jonah Haber

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

  • Sivan Refaely-Abramson

    • Department of Physics, UC Berkeley; Molecular Foundry, LBNL
    • Dept. of Materials and Interfaces, Weizmann Institute of Science
    • Lawrence Berkeley National Laboratory
    • Lawrence Berkeley National Lab and University of California - Berkeley

  • Jeffrey Neaton

    • Molecular Foundry, Lawrence Berkeley National Laboratory; Department of Physics, University of California, Berkeley; Kavli Energy Nanosciences Institute at Berkeley
    • Physics, University of California, Berkeley; Lawrence Berkeley National Laboratory
    • Department of Physics, University of California
    • Univ of California - Berkeley
    • Lawrence Berkeley Natl Lab
    • Materials Science Division, Lawrence Berkeley National Laboratory
    • Molecular Foundry, Lawrence Berkeley National Lab
    • Physics, University of California, Berkeley
    • Department of Physics UCB; Molecular Foundry LBNL; Kavli ENSI
    • Lawrence Berkeley National Laboratory
    • Department of Physics, Univ of California - Berkeley
    • Lawrence Berkeley National Lab and University of California - Berkeley

  View abstract →

• Phonon-driven spin dynamics in the valleys of TMDC

  ORAL

  March 5, 2018, 3:54 PM – March 5, 2018, 4:06 PM

  Presenters

  • Dongbin Shin

    • Ulsan Natl Inst of Sci & Tech

  Authors

  • Dongbin Shin

    • Ulsan Natl Inst of Sci & Tech

  • Hannes Huberner

    • Max Planck Institute for the Structure and Dynamics of Matter

  • Umberto Giovannini

    • Max Planck Institute for the Structure and Dynamics of Matter

  • Hosub Jin

    • Department of Physics, Ulsan National Institute of Science and Technology
    • Ulsan Natl Inst of Sci & Tech

  • Angel Rubio

    • Max Planck Inst Structure & Dynamics of Matter
    • Theory, Max Planck Inst Structure & Dynamics of Matter
    • University of the Basque Country
    • Theory department, Max Planck Institute for the Structure and Dynamics of Matter
    • Universidad del Pais Vasco
    • Strc Dyn of Matt, Max Plank Insititute
    • Theory, Max Planck Institute for the Structure and Dynamics of Matter
    • Max Planck Institute for the Structure and Dynamics of Matter

  • Noejung Park

    • Ulsan Natl Inst of Sci & Tech

  View abstract →

• Transient charge and energy flow in the wide-band limit

  ORAL

  March 5, 2018, 4:06 PM – March 5, 2018, 4:18 PM

  Presenters

  • Florian Eich

    • Max Planck Institute for the Structure and Dynamics of Matter

  Authors

  • Fabio Covito

    • Max Planck Inst Structure & Dynamics of Matter
    • Max Planck Institute for the Structure and Dynamics of Matter

  • Florian Eich

    • Max Planck Institute for the Structure and Dynamics of Matter

  • Riku Tuovinen

    • Max Planck Institute for the Structure and Dynamics of Matter

  • Michael Sentef

    • Max Planck Inst Structure & Dynamics of Matter
    • Max Planck Institute for the Structure and Dynamics of Matter, CFEL
    • Max Planck Institute for the Structure and Dynamics of Matter

  • Angel Rubio

    • Max Planck Inst Structure & Dynamics of Matter
    • Theory, Max Planck Inst Structure & Dynamics of Matter
    • University of the Basque Country
    • Theory department, Max Planck Institute for the Structure and Dynamics of Matter
    • Universidad del Pais Vasco
    • Strc Dyn of Matt, Max Plank Insititute
    • Theory, Max Planck Institute for the Structure and Dynamics of Matter
    • Max Planck Institute for the Structure and Dynamics of Matter

  View abstract →

• Magnon dispersion and magneto-optical Kerr effect of antiferromagnetic L1₀-type MnPt

  ORAL

  March 5, 2018, 4:18 PM – March 5, 2018, 4:30 PM

  Presenters

  • Kisung Kang

    • Department of Materials Science and Engineering, University of Illinois

  Authors

  • Kisung Kang

    • Department of Materials Science and Engineering, University of Illinois

  • David Cahill

    • Materials Science and Engineering, University of Illinois at Urbana-Champaign
    • Department of Materials Science and Engineering, University of Illinois at Urbana-Champaign
    • University of Illinois at Urbana-Campaign
    • University of Illinois at Urbana-Champaign
    • University of Illinois at Urbana–Champaign
    • Department of Materials Science and Engineering and Materials Research Laboratory, Univ of Illinois - Urbana
    • Univ of Illinois - Urbana
    • Univ of Illinois at Urbana-Champaign
    • Department of Materials Science and Engineering, University of Illinois

  • Andre Schleife

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

  View abstract →

• Topological Phase Transitions from Relativistic Many-Body Calculations

  ORAL

  March 5, 2018, 4:30 PM – March 5, 2018, 4:42 PM

  Presenters

  • Irene Aguilera

    • Peter Grünberg Institut and Institute for Advanced Simulation, Forschungszentrum Jülich and JARA

  Authors

  • Irene Aguilera

    • Peter Grünberg Institut and Institute for Advanced Simulation, Forschungszentrum Jülich and JARA

  • Christoph Friedrich

    • Peter Grünberg Institut, Forschungszentrum Jülich
    • Peter Grünberg Institut and Institute for Advanced Simulation, Forschungszentrum Jülich and JARA

  • Stefan Bluegel

    • Peter Grünberg Institut and Institute for Advanced Simulation, Forschungszentrum Jülich and JARA
    • Peter Grünberg Institute and Institute for Advanced Simulation, Forschungszentrum Jülich
    • Peter Grünberg Institut, Forschungszentrum Jülich
    • Peter Grünberg Institut (PGI) and Institute for Advanced Simulation (IAS), Forschungszentrum Jülich and JARA
    • PGI-1, Forschungszentrum Jülich
    • Forschungszentrum Julich GmbH
    • PGI-1, FZ Juelich

  View abstract →

• Electron-Magnon Scattering in Elementary Ferromagnets from First Principles: Lifetime Broadening and Kinks

  ORAL

  March 5, 2018, 4:42 PM – March 5, 2018, 4:54 PM

  Presenters

  • Christoph Friedrich

    • Peter Grünberg Institut, Forschungszentrum Jülich
    • Peter Grünberg Institut and Institute for Advanced Simulation, Forschungszentrum Jülich and JARA

  Authors

  • Mathias C.T.D. Müller

    • Peter Grünberg Institut, Forschungszentrum Jülich

  • Christoph Friedrich

    • Peter Grünberg Institut, Forschungszentrum Jülich
    • Peter Grünberg Institut and Institute for Advanced Simulation, Forschungszentrum Jülich and JARA

  • Stefan Bluegel

    • Peter Grünberg Institut and Institute for Advanced Simulation, Forschungszentrum Jülich and JARA
    • Peter Grünberg Institute and Institute for Advanced Simulation, Forschungszentrum Jülich
    • Peter Grünberg Institut, Forschungszentrum Jülich
    • Peter Grünberg Institut (PGI) and Institute for Advanced Simulation (IAS), Forschungszentrum Jülich and JARA
    • PGI-1, Forschungszentrum Jülich
    • Forschungszentrum Julich GmbH
    • PGI-1, FZ Juelich

  View abstract →

• Light-matter interactions in optical cavities beyond the classical Maxwell description

  ORAL

  March 5, 2018, 4:54 PM – March 5, 2018, 5:06 PM

  Presenters

  • Norah Hoffmann

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

  Authors

  • Norah Hoffmann

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

  • Aaron Kelly

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

  • Niko Säkkinen

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

  • Christian Schaefer

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

  • Angel Rubio

    • Max Planck Inst Structure & Dynamics of Matter
    • Theory, Max Planck Inst Structure & Dynamics of Matter
    • University of the Basque Country
    • Theory department, Max Planck Institute for the Structure and Dynamics of Matter
    • Universidad del Pais Vasco
    • Strc Dyn of Matt, Max Plank Insititute
    • Theory, Max Planck Institute for the Structure and Dynamics of Matter
    • Max Planck Institute for the Structure and Dynamics of Matter

  • Neepa Maitra

    • physics, Hunter College
    • Hunter Coll
    • Physics and Astronomy, Hunter College, CUNY
    • Hunter College CUNY and the Graduate Center CUNY
    • Department of Physics and Astronomy, Hunter College and the City University of New York
    • Department of Physics and Astronomy , Hunter College of the City University of New York

  • Heiko Appel

    • Theory, Max Planck Inst Structure & Dynamics of Matter
    • Theory, Max Planck Institute for the Structure and Dynamics of Matter

  View abstract →

• Conceptual insights to the interaction of the electric field and molecule in spectroscopy to further our understanding of molecular dynamics such as isomerization

  ORAL

  March 5, 2018, 5:06 PM – March 5, 2018, 5:18 PM

  Presenters

  • Rachel Glenn

    • Chemistry, Virginia Tech

  Authors

  • Rachel Glenn

    • Chemistry, Virginia Tech

  View abstract →