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Quantum Embedding: Methods

FOCUS · MAR-A47 · ID: 3104967

Presentations

  • Algorithmic inversion on sum over poles to embed interacting many-body systems

    ORAL

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    Publication: A. Carbone, T. Chiarotti, M. Capone, and N. Marzari, in preparation (2025)

    Presenters

    • Alessandro Carbone

      Ecole Polytechnique Federale de Lausanne

    Authors

    • Alessandro Carbone

      Ecole Polytechnique Federale de Lausanne

    • Tommaso Chiarotti

      California Institute of Technology (CALTECH), Pasadena, California, USA, Caltech, California Institute of Technology

    • Massimo Capone

      SISSA

    • Nicola Marzari

      Ecole Polytechnique Federale de Lausanne, École Polytechnique Fédérale de Lausanne (EPFL), Ecole Polytechnique Federale de Lausanne (EPFL), Paul Scherrer Institut (PSI)

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  • Double-counting and hybridization in quantum defect embedding theory

    ORAL

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    Publication: [1] H. Ma, M. Govoni, and G. Galli, npj Comput. Mater. 6, 85 (2020).<br>[2] N. Sheng et al., J. Chem. Theory Comput. 18, 3512 (2022).<br>[3] C. Vorwerk et al., Nat. Comput. Sci. 2, 424 (2022).

    Presenters

    • Siyuan Chen

      University of Chicago

    Authors

    • Siyuan Chen

      University of Chicago

    • Victor Yu

      Argonne National Laboratory

    • Marco Govoni

      University of Modena & Reggio Emilia

    • Yu Jin

      University of Chicago

    • Giulia Galli

      University of Chicago

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  • Algorithmic inversion and dynamical functionals to address correlations in materials

    ORAL

    –

    Publication: T. Chiarotti, A. Ferretti, and N. Marzari, PRR 6, L032023 (2024)

    Presenters

    • Tommaso Chiarotti

      California Institute of Technology (CALTECH), Pasadena, California, USA, Caltech, California Institute of Technology

    Authors

    • Tommaso Chiarotti

      California Institute of Technology (CALTECH), Pasadena, California, USA, Caltech, California Institute of Technology

    • Mario Caserta

      Federal Institute of Technology (EPFL)

    • Andrea Ferretti

      CNR Institute for Nanoscience

    • Nicola Marzari

      Ecole Polytechnique Federale de Lausanne, École Polytechnique Fédérale de Lausanne (EPFL), Ecole Polytechnique Federale de Lausanne (EPFL), Paul Scherrer Institut (PSI)

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