Quantum Embedding: Methods

Presentations

• A rigorous framework for embedding of quantum systems with long-range interactions

  ORAL · Invited

  March 17, 2025, 8:00 AM – March 17, 2025, 8:36 AM

  Publication: Scott and Booth, Phys. Rev. Lett. 132, 076401 (2024)
  Nusspickel and Booth, Phys. Rev. X 12, 011046 (2022)

  Presenters

  • George Booth

    • King's College London

  Authors

  • George Booth

    • King's College London

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• Abstract Withdrawn

  ORAL · Withdrawn

  March 17, 2025, 8:36 AM – March 17, 2025, 8:48 AM

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

  ORAL

  March 17, 2025, 8:48 AM – March 17, 2025, 9:00 AM

  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

  March 17, 2025, 9:00 AM – March 17, 2025, 9:12 AM

  Publication: [1] H. Ma, M. Govoni, and G. Galli, npj Comput. Mater. 6, 85 (2020).
  [2] N. Sheng et al., J. Chem. Theory Comput. 18, 3512 (2022).
  [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

  March 17, 2025, 9:12 AM – March 17, 2025, 9:24 AM

  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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• Effective spin-bath models for real solids and molecules

  ORAL

  March 17, 2025, 9:24 AM – March 17, 2025, 9:36 AM

  Presenters

  • Benedikt Matthias Schoenauer

    • HQS Quantum Simulations GmbH

  Authors

  • Benedikt Matthias Schoenauer

    • HQS Quantum Simulations GmbH

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• Accelerating quantum embedding beyond DFT using interpolative separable density fitting

  ORAL

  March 17, 2025, 9:36 AM – March 17, 2025, 9:48 AM

  Presenters

  • Chia-Nan Yeh

    • Simons Foundation (Flatiron Institute)

  Authors

  • Chia-Nan Yeh

    • Simons Foundation (Flatiron Institute)

  • Miguel A Morales

    • Simons Foundation (Flatiron Institute)

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• Dynamical Downfolding of Interacting Quasiparticles in Chemical Interfaces

  ORAL

  March 17, 2025, 9:48 AM – March 17, 2025, 10:00 AM

  Presenters

  • Annabelle Louise Canestraight

    • University of California, Santa Barbara

  Authors

  • Annabelle Louise Canestraight

    • University of California, Santa Barbara

  • Libor Veis

    • J. Heyrovsky Institute of Physical Chemistry

  • Vojtech Vlcek

    • University of California, Santa Barbara

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