DMP Prize Session

INVITED · MAR-J01 · ID: 3965894

Presentations

  • ORAL · Invited

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    Publication: [1] J. Qiao, G. Pizzi, and N. Marzari, Projectability disentanglement for accurate and automated electronic-structure Hamiltonians, npj Comput. Mater. 9, 208 (2023).
    [2] J. Qiao, G. Pizzi, and N. Marzari, Automated mixing of maximally localized Wannier functions into target manifolds, npj Comput. Mater. 9, 206 (2023).
    [3] J. Qiao, G. Pizzi, and N. Marzari, The electronic structure genome of inorganic crystals, in preparation (2025).
    [4] E. Linscott, N. Colonna, R. De Gennaro, N. L. Nguyen, G. Borghi, A. Ferretti, I. Dabo, and N. Marzari, koopmans: an open-source package for accurately and efficiently predicting spectral properties with Koopmans functionals, Journal of Chemical Theory and Computation 19, 7097 (2023).
    [5] T. Chiarotti, A. Ferretti, and N. Marzari, Energies and spectra of solids from the algorithmic inversion of dynamical Hubbard functionals, Physical Review Research 6, L032023 (2024).
    [6] A. Ferretti and N. Marzari, Functional theory of the occupied spectral density, arXiv:2508.17245 (2025).

    Presenters

    • Nicola Marzari

      • École Polytechnique Fédérale de Lausanne
      • Ecole Polytechnique Federale de Lausanne
      • Paul Scherrer Institute PSI

    Authors

    • Nicola Marzari

      • École Polytechnique Fédérale de Lausanne
      • Ecole Polytechnique Federale de Lausanne
      • Paul Scherrer Institute PSI

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