Our group develops theory and computational methods to study the behavior of electrons in materials. We use so-called first-principles methods, which can predict the properties of materials by numerically solving the equations of quantum mechanics without any input from experiment. This research provides microscopic insight beyond the reach of experiments, characterizing the interactions and motion of the electrons with ultrashort time and spatial resolutions. One goal is to advance fundamental understanding of electron transport, nonequilibrium dynamics and light-matter interactions in materials ranging from semiconductors to oxides, organic crystals and quantum materials. Another goal is to use this knowledge to study materials and devices electronics, optoelectronics, energy and quantum technologies. Please explore the Research section of this website for more extensive discussions on our work.

Recent News

Recent Publications

  • Respective roles of electron-phonon and electron-electron interactions
    in the transport and quasiparticle properties of SrVO3
    Submitted. Preprint: arXiv 2404.07772
  • First-principles electron-phonon interactions
    and electronic transport in large-angle twisted bilayer graphene.
    Submitted. Preprint: arXiv 2402.19453
  • First-principles electron-phonon interactions and polarons
    in the parent cuprate La2CuO4.
    Submitted. Preprint: arXiv 2401.11322
  • Dynamic mode decomposition of nonequilibrium electron-phonon dynamics: accelerating the first-principles real-time Boltzmann equation.
    Submitted. Preprint: arXiv 2311.07520
  • Data-driven compression of electron-phonon interactions.
    Physical Review X (Accepted). Preprint: arXiv 2401.11393
  • Carbon-Related Quantum Emitter in Hexagonal Boron Nitride
    with Homogeneous Energy and 3-Fold Polarization.
    Nano Letters 2024, 24, 1106.
  • Efficient Mean-Field Simulation of Quantum Circuits
    Inspired by Density Functional Theory.
    Journal of Chemical Theory and Computation 2023, 19, 8066.
  • Combining electron-phonon and dynamical mean field theory calculations of correlated materials: transport in the correlated metal Sr2RuO4.
    Physical Review Materials 2023 7, 093801. (Editor's Suggestion)