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Quantum Embedding: Materials

FOCUS · MAR-W50 · ID: 3104987

Presentations

  • Low-Temperature Transport and Spectroscopy — Dynamical Mean-Field Theory Meets Experiment

    ORAL · Invited

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    Publication: [1] J. Lee-Hand, H. LaBollita, F. B. Kugler, L. Van Muñoz, S. Beck, A. Hampel, J. Kaye, A. Georges, C. E. Dreyer, in preparation<br>[2] M. Grundner, F. B. Kugler, O. Parcollet, U. Schollwöck, A. Georges, A. Hampel, arXiv:2409.17268

    Presenters

    • Fabian B Kugler

      Flatiron Institute, Simons Foundation

    Authors

    • Fabian B Kugler

      Flatiron Institute, Simons Foundation

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  • Converge towards an exact electronic quantum many-body treatment of Kondo correlation in magnetic impurities with Full-cell DMFT

    ORAL

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    Publication: Zhu, T., Peng, L., Zhai, H., Cui, Z. H., & Chan, G. K. (2024). Towards an exact electronic quantum many-body treatment of Kondo correlation in magnetic impurities. arXiv preprint arXiv:2405.18709.

    Presenters

    • Linqing Peng

      California Institute of Technology, Caltech

    Authors

    • Linqing Peng

      California Institute of Technology, Caltech

    • Tianyu Zhu

      Yale University, California Institute of Technology, Yale University

    • Huanchen Zhai

      California Institute of Technology, Caltech

    • Zhi-Hao Cui

      California Institute of Technology

    • Garnet K Chan

      Caltech, California Institute of Technology

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  • Ab-initio Downfolding for SrVO<sub>3 </sub>from Quantum Monte Carlo

    ORAL

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    Publication: 1. Y. Chang, E. G. C. P. van Loon, B. Eskridge, B. Busemeyer, M. A. Morales, C. E. Dreyer, A. J. Millis, S. Zhang, T. O. Wehling, L. K. Wagner, M. Rösner, Downfolding from ab initio to interacting model Hamiltonians: comprehensive analysis and benchmarking of the DFT+cRPA approach, npj Comput. Mater. 10, 129 (2024).<br>2. Y. Chang, S. Joshi, L. K. Wagner, Renormalized density matrix downfolding: a rigorous framework in learning emergent models from ab initio many-body calculations, Phys. Rev. B (in press).<br>3. Y. Chang, Y. Yang, G. Kotliar, S. Zhang, manuscript in preparation.

    Presenters

    • Yueqing Chang

      Rutgers University

    Authors

    • Yueqing Chang

      Rutgers University

    • Yubo Yang

      Hofstra University, Department of Physics and Astronomy, Hofstra University

    • Gabriel Kotliar

      Rutgers University

    • Shiwei Zhang

      Simons Foundation (Flatiron Institute), Simons Foundation

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  • High-accuracy electronic structures of condensed phases at Hartree-Fock cost with machine-learnt, correlated 2-body reduced density matrices

    ORAL

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    Publication: Xuecheng Shao, Lukas Paetow, Mark E. Tuckerman, and Michele Pavanello. Machine learning electronic structure methods based on the one-electron reduced density matrix. Nat. Commun., 14(1):6281, October 2023.

    Presenters

    • Jessica A. Martinez B.

      Rutgers University - Newark

    Authors

    • Jessica A. Martinez B.

      Rutgers University - Newark

    • Xuecheng Shao

      Rutgers University - Newark

    • Michele Pavanello

      Rutgers University - Newark

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  • A dynamical Hubbard approach to the Mott-Hubbard/charge-transfer series of transition-metal monoxides

    ORAL

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    Publication: [1] T. Chiarotti, A. Ferretti, and N. Marzari Phys. Rev. Research 6, L032023 (2024)<br>[2] M. Caserta, T. Chiarotti, N. Marzari (in preparation)

    Presenters

    • Mario Caserta

      Federal Institute of Technology (EPFL)

    Authors

    • Mario Caserta

      Federal Institute of Technology (EPFL)

    • Tommaso Chiarotti

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

    • 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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  • Dynamical mean field theory for real materials on a quantum computer

    ORAL

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    Publication: https://arxiv.org/abs/2404.09527

    Presenters

    • Georgy Samsonidze

      Robert Bosch LLC

    Authors

    • Johannes Selisko

      Robert Bosch GmbH

    • Maximilian Amsler

      Robert Bosch GmbH

    • Christopher Wever

      Robert Bosch GmbH

    • Yukio Kawashima

      IBM Research - Tokyo

    • Georgy Samsonidze

      Robert Bosch LLC

    • Rukhsan Ul Haq

      IBM Research - India

    • Francesco Tacchino

      IBM Research - Zurich

    • Ivano Tavernelli

      IBM Research - Zurich

    • Thomas Eckl

      Robert Bosch GmbH

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  • First-principles investigation of Er-doped CeO<sub>2</sub> as a solid-state spin qubit platform

    ORAL

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    Presenters

    • Vrindaa Somjit

      Argonne National Laboratory

    Authors

    • Vrindaa Somjit

      Argonne National Laboratory

    • Yu Jin

      University of Chicago

    • Jinsoo Park

      University of Chicago

    • Weiguo Jing

      Université catholique de Louvain

    • Matteo Giantomassi

      Université catholique de Louvain

    • Gian-Marco Rignanese

      Universite catholique de Louvain, Université Catholique de Louvain

    • Giulia Galli

      University of Chicago

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