Dr. Irene Casademont Reig is a computational chemist whose research focuses on the electronic-structure characterization of complex molecular systems, with particular emphasis on ground- and excited-state aromaticity in porphyrinoid macrocycles. Her work also addresses problems in photochemistry and catalysis using advanced quantum-chemical methods. She has broad expertise in electronic-structure analysis, chemical bonding and electron delocalization descriptors, as well as inverse molecular design strategies. In addition, she has hands-on experience with state-of-the-art transient electronic spectroscopy techniques, enabling close interaction with experimental studies. More recently, her research has expanded toward the computational design and characterization of emerging functional systems, including molecular electrides.
