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


Speakers: Feven Alemu 

Title: "Coupling density based descriptors with Real Time DFT for the description of electronic density evolution induced by irradiation"

Place: Microsoft Teams

Time: 11:30 am




News and Welcoming

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