Espectroscopia teórica avanzada, fotofísica de lantánidos e modelado químico-cuántico de complexos de coordinación.
Investigación de novas propiedades fotofísicas e magnéticas a nivel molecular.
Modeling 4f-4f transition intensities, energy transfer rates, and circularly polarized luminescence.
Extensive application of DFT, TD-DFT, and multiconfigurational methods via ORCA to resolve complex electronic structures.
Development and maintenance of open computational tools for calculating Judd-Ofelt parameters and transition probabilities.
