Quantum Embedding Methods: Materials

FOCUS · N58 · ID: 2155734

Presentations

  • Model self-energies for dynamical correlations in transition-metal monoxides

    ORAL

    –

    Presenters

    • Mario Caserta

      Federal Institute of Technology (EPFL)

    Authors

    • Mario Caserta

      Federal Institute of Technology (EPFL)

    • Tommaso Chiarotti

      THEOS, EPFL; NCCR MARVEL

    • Marco Vanzini

      EPFL, ETSF, Colleege Champittet, Pully, Switzerland

    • Nicola Marzari

      Ecole Polytechnique Federale de Lausanne, THEOS, EPFL; NCCR MARVEL; LSM Paul Scherrer Insitut, EPFL, THEOS, EPFL; NCCR, MARVEL; LMS, Paul Scherrer Institut

    View abstract →

  • Energies and spectra of solids from dynamical Hubbard functionals and the algorithmic-inversion method

    ORAL

    –

    Publication: [1] T. Chiarotti, A. Ferretti, and N. Marzari, "Energies and spectra of solids from the algorithmic inversion of localized GW", (2023), arXiv:2302.12193.

    Presenters

    • Tommaso Chiarotti

      THEOS, EPFL; NCCR MARVEL

    Authors

    • Tommaso Chiarotti

      THEOS, EPFL; NCCR MARVEL

    • Andrea Ferretti

      CNR, Istituto Nanoscienze

    • Nicola Marzari

      Ecole Polytechnique Federale de Lausanne, THEOS, EPFL; NCCR MARVEL; LSM Paul Scherrer Insitut, EPFL, THEOS, EPFL; NCCR, MARVEL; LMS, Paul Scherrer Institut

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  • DFT + embedded DMFT Study of Doped Rare-Earth Nickelates

    ORAL

    –

    Presenters

    • Nicholas Corkill

      Kent State University

    Authors

    • Nicholas Corkill

      Kent State University

    • Gheorghe L Pascut

      Stefan Cel Mare? University (USV), Stefan Cel Mare University (USV)

    • Khandker F Quader

      Kent State University, Department of Physics, Kent State University

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  • Understanding effective model derivation for an Fe<sub>Al</sub><sup>0</sup> point defect in AlN using ab-initio quantum Monte Carlo calculations

    ORAL

    –

    Presenters

    • Kevin G Kleiner

      University of Illinois at Urbana-Champaign, Department of Physics, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA

    Authors

    • Kevin G Kleiner

      University of Illinois at Urbana-Champaign, Department of Physics, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA

    • Cyrus E Dreyer

      Center for Computational Quantum Physics, Flatiron Institute, 162 5th Avenue, New York, New York, 11010, USA

    • Lucas K Wagner

      University of Illinois at Urbana-Champaign, Department of Physics, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA, University of Illinois at Urbana-Champaign.

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  • Computing the Hall conductivity of strained Sr2RuO4

    ORAL

    –

    Presenters

    • Fabian B Kugler

      Flatiron Institute, Simons Foundation, Rutgers University, New Brunswick

    Authors

    • Fabian B Kugler

      Flatiron Institute, Simons Foundation, Rutgers University, New Brunswick

    • Lorenzo X Van Munoz

      Massachusetts Institute of Technology MIT

    • Sophie Beck

      Simons Foundation

    • Jason Kaye

      Flatiron Institute, Flatiron Institute, Simons Foundation

    • Antoine Georges

      College de France

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  • Understanding the many-body electronic structure of the nitrogen-vacancy center in diamond

    ORAL

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    Publication: Understanding the many-body electronic structure of the nitrogen-vacancy center in diamond under pressure, Alan Custodio dos Reis Souza, Mariya Romanova, Michele Casula, Jelena Sjakste, and Nathalie Vast (2023).

    Presenters

    • Nathalie Vast

      CEA-Saclay

    Authors

    • Nathalie Vast

      CEA-Saclay

    • Alan CUSTODIO DOS REIS SOUZA

      Laboratoire des Solides Irradiés, CEA-Saclay

    • Mariya ROMANOVA

      CEA Cadarache

    • Michele Casula

      Sorbonne University

    • Jelena Sjakste

      CNRS

    View abstract →