Advanced theoretical spectroscopy, lanthanide photophysics, and quantum chemical modeling of coordination complexes.
Investigating novel photophysical and magnetic properties at the molecular level.
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.
