Bernardi

Our group develops theory and computational methods to study the behavior of electrons in materials. We focus on first-principles calculations, which can predict the properties of materials using numerical quantum mechanics without any input from experiments. Our research sheds light on the quantum interactions and dynamics of electrons, atomic vibrations, spin, and other excitations in condensed matter. Knowledge of these microscopic processes advances the understanding of transport, nonequilibrium dynamics, spin physics, and light-matter interactions. This work spans a wide range of conventional and quantum materials with both fundamental interest and technological applications.

We have openings for graduate students. Please contact Prof. Bernardi to discuss.

Recent News

Recent Publications

  • First-principles diagrammatic Monte Carlo
    for electron-phonon interactions polarons
    Submitted.
  • Magnon-phonon interactions from first principles
    Submitted. Preprint: arXiv 2502.05385
  • Advancing simulations of coupled electron and phonon nonequilibrium dynamics using adaptive and multirate time integration
    Submitted. Preprint: arXiv 2412.13402
  • First-principles electron-phonon interactions and polarons
    in the parent cuprate La2CuO4.
    Physical Review Research 2025 (accepted). Preprint: arXiv 2401.11322
  • Respective roles of electron-phonon and electron-electron interactions in the transport and quasiparticle properties of SrVO3
    Physical Review Letters 2024 133, 186501.
  • Data-driven compression of electron-phonon interactions.
    Physical Review X 2024, 14, 021023.