Research in our group focuses on the development and application of theoretical tools for the description of complex chemical phenomena. With electronic structure methods, we aim to aid in the design and understanding of functional molecules and materials for application in areas such as solar energy, light-emitting devices and biology. See our publication and research pages for more information. 

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Latest Publications
Upcoming seminars and talks

CTM group webinar


Speaker: Ismail Can Oguz

Title: "Generalized Implicit Solvation"

Place: Microsoft Teams

Time: 12:00 pm




News and Welcoming

Welcome to the group, Clara!

Master student

We all welcome the new member of  the CTM group, Clara Chinchilla-Garzon. She will study the Suzuki-Miyaura cross-coupling reactions of different nitroarene compounds by means of DFT methods under the supervision of Ilaria Ciofini and Laurance Grimaud (ENS)


Welcome to the group, Silvia!

Master student

We all welcome the new member of  the CTM group, Silvia Di Grande from the University of Florence (Italy). She is doing an Erasmus + Traineeship project supervised by Dr. Ilaria Ciofini, prof. Gianni Cardini (Florence) and prof. Marco Pagliai (Florence). Her project will be addressed to the study of spectroscopic and structural properties of fluorescent dye molecules by means of DFT and TD-DFT