Publications related to excited-state electronic structure:

  1. Z. Dai, D. Kim, J. Lafuente-Bartolome, F. Giustino Comparison between first-principles supercell calculations of polarons and the ab initio polaron equations. arXiv:2511.01764 (2025)
  2. Z. Dai and F. Giustino, Identification of large polarons and exciton polarons in rutile and anatase polymorphs of titanium dioxide. PNAS 121, e2414203121 (2024)
  3. Z. Dai, C. Lian, J. Lafuente-Bartolome, F. Giustino, Excitonic polarons and self-trapped excitons from first-principles exciton-phonon couplings. Physical Review Letters 132, 036902 (2024)
  4. Z. Dai, C. Lian, J. Lafuente-Bartolome, F. Giustino, Theory of excitonic polarons: From models to first-principles calculations. Physical Review B 109, 045202 (2024)