Research in the Swart Lab focuses on the design of density functionals and application of these in transition-metal chemistry, to study the effect of transition metals on reactivity, selectivity, chemical bonding and spectroscopy.
Several scientific breakthroughs in the understanding of spin and oxidation states involved have led to multiple scientific projects among which a COST Action.
Because of this, he has been approached by many experimental groups to collaborate
on spectroscopy and reactivity of (high-valent) transition-metal complexes, their electronic structure and how this is influenced by the metal and type of ligand(s) present.
Central in these studies is the use of spin-state consistent density functionals (S12g, SSB-D, OPBE
and the upcoming S21g).