Quantum Embedding: Models and Materials

Presentations

• Substrate and cation engineering for optimizing superconductivity in infinite-layer nickelates

  Oral-In-person

  March 19, 2026, 8:00 AM – March 19, 2026, 8:12 AM

  Presenters

  • Viktor Christiansson

    • TU Wien

  Authors

  • Viktor Christiansson

    • TU Wien

  • Karsten Held

    • TU Wien

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• Many-body ab initio investigation of plasmon-Hubbard satellites of cubic SrVO₃ and CaVO₃

  Oral-In-person

  March 19, 2026, 8:12 AM – March 19, 2026, 8:24 AM

  Presenters

  • Weiyi Guo

    • University of Amsterdam

  Authors

  • Weiyi Guo

    • University of Amsterdam

  • Chia-Nan Yeh

    • Simons Foundation (Flatiron Institute)

  • Irene Aguilera

  • Miguel Morales

    • Simons Foundation (Flatiron Institute)

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• Importance of Long-Range Hopping for Superconductivity in the Emery Model

  Oral-In-person

  March 19, 2026, 8:24 AM – March 19, 2026, 8:36 AM

  Publication: M. O. Malcolms et al., arXiv:2412.14951 (2024).

  Presenters

  • Eric Jacob

    • TU Wien

  Authors

  • Eric Jacob

    • TU Wien

  • Mario Malcolms

  • Philipp Hansmann

    • Friedrich-Alexander University Erlangen-

  • Thomas Schäfer

    • Max Planck Institute for Solid State Research

  • Karsten Held

    • TU Wien

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• Towards Triplet Superconductivity by Density Matrix Embedding Theory

  Oral-In-person

  March 19, 2026, 8:36 AM – March 19, 2026, 8:48 AM

  Presenters

  • SHUOXUE LI

    • Caltech

  Authors

  • SHUOXUE LI

    • Caltech

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• Ab initio dynamical mean field theory study on the electronic structure and magnetism of Fe_1/3NbS₂

  Oral-In-person

  March 19, 2026, 8:48 AM – March 19, 2026, 9:00 AM

  Presenters

  • Ke Liao

    • Yale University

  Authors

  • Ke Liao

    • Yale University

  • Christian Venturella

    • Yale University

  • Wenxin Li

    • Yale University

  • Yu He

    • Yale University

  • Tianyu Zhu

    • Yale University

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• Multi-reference calculation for correlated transition-metal oxides from delta-learning

  Oral-In-person

  March 19, 2026, 9:00 AM – March 19, 2026, 9:12 AM

  Publication: Guoyuan Liu and Nicola Marzari, in preparation (2025).

  Presenters

  • Guoyuan Liu

    • Federal Institute of Technology (EPFL)

  Authors

  • Guoyuan Liu

    • Federal Institute of Technology (EPFL)

  • Nicola Marzari

    • Ecole Polytechnique Federale de Lausanne

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• Quantum embedding for strongly correlated defects in PAW calculations from the algorithmic inversion method

  Oral-In-person

  March 19, 2026, 9:12 AM – March 19, 2026, 9:24 AM

  Publication: Luca Righetti, Tommaso Chiarotti, Alessandro Carbone, Nicola Marzari, in preparation (2026)

  Presenters

  • Luca Righetti

    • Federal Institute of Technology (EPFL)

  Authors

  • Luca Righetti

    • Federal Institute of Technology (EPFL)

  • Alessandro Carbone

    • Ecole Polytechnique Fédérale de Lausanne (EPFL)

  • Nicola Marzari

    • Ecole Polytechnique Federale de Lausanne

  • Tommaso Chiarotti

    • Caltech

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• Multi-orbital dynamical mean field theory for transition-metal oxides on near-term quantum processors

  Oral-In-person

  March 19, 2026, 9:24 AM – March 19, 2026, 9:36 AM

  Presenters

  • Georgy Samsonidze

    • Robert Bosch LLC

  Authors

  • Georgy Samsonidze

    • Robert Bosch LLC

  • Maximilian Amsler

    • Robert Bosch GmbH

  • Christopher Wever

  • Yukio Kawashima

  • Francesco Tacchino

    • IBM Research - Zurich

  • Ivano Tavernelli

    • IBM Research - Zurich

  • Thomas Eckl

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• New theoretical method to design quasi-atomic systems in the band gap of semiconductors by combining density functional theory (DFT) and the Hubbard effective Hamiltonian: Applications to alpha boron and to the nitrogen-vacancy center in diamond

  Oral-In-person

  March 19, 2026, 9:36 AM – March 19, 2026, 9:48 AM

  Publication: Thermodynamical stability of carbon-based defects in α boron from first principles
  Y. Cho, J. Sjakste, O. Hardouin Duparc, N. Vast
  Solid State Sciences 154, 107610 (2024) https://doi.org/10.1016/j.solidstatesciences.2024.107610
  The effect of pressure on the intrinsic optical dynamics of NV- colored centers in diamond, Alan Custodio dos Reis Souza, Mariya Romanova, Michele Casula, Jelena Sjakste, and Nathalie Vast (in preparation).
  New theoretical method to design quasi-atomic systems in the band gap of semiconductors by combining density functional theory (DFT) and the Hubbard effective Hamiltonian (in preparation)
  Y. Cho, Alan Custodio dos Reis Souza, Mariya Romanova, J. Sjakste, Michele Casula, N. Vast

  Presenters

  • Lorenzo Lanzini

    • Institut Polytechnique Paris - LSI

  Authors

  • Nathalie Vast

    • CEA-Saclay

  • Yeonsoo Cho

    • Ecole Polytechnique

  • Alan CUSTODIO DOS REIS SOUZA

  • Jelena Sjakste

    • CNRS - Laboratoire des Solides Irradies (LSI)

  • Michele Casula

    • CNRS

  • Mariya Romanova

  • Lorenzo Lanzini

    • Institut Polytechnique Paris - LSI

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• High Tc superconductivity in elemental cerium under mesoscopic point contacts

  Oral-In-person

  March 19, 2026, 9:48 AM – March 19, 2026, 10:00 AM

  Presenters

  • Mohd Monish

    • IISER Mohali

  Authors

  • Mohd Monish

    • IISER Mohali

  • Nikhlesh Mehta

  • Mona Garg

    • Iiser mohali

  • Goutam Sheet

    • IISER Mohali

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