We are a small, dynamic team specializing in the investigation of molecular and supramolecular structures through the integration of computational quantum chemistry and vibrational spectroscopy techniques, including infrared, Raman, and inelastic neutron scattering (INS), with research in several areas as polymers, deep eutectic solvents, photoluminescent materials and inelastic neutron scattering. By combining these experimental and computational tools, we develop a comprehensive “computational spectroscopy” perspective, providing deeper insights into molecular behavior. Our lab operates within the CICECO – Aveiro Institute of Materials at the University of Aveiro, one of Europe’s leading materials science research centers.