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

Journal of Chemical Theory and Computation

DOI: 10.1021/acs.jctc.0c00762

Photonastic materials present a directional and repeatable deformation of the material shape due to transduction from light energy to mechanical energy. Among these materials, light-responsive polym...

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News and Welcoming

Welcome to the group, Feven!

We all welcome the new member of CTM group, Feven Alemu. She has just started her PhD working under the supervision of Ilaria Ciofini and Aurelièn De La Lande from University Paris-Saclay. The aim of her project is to develop new density based descriptors to analyze attosecond electron dynamic simulations within complex chemical systems subjected to irradiations. 

Welcome to the group, Ismail!

We all welcome the new member of CTM group, Ismail Can Oguz. He will work as a post-doctoral researcher at the "Generalized Implicit Solvation" project aiming at developing and validating the finite-difference implicit solvation model in the CRYSTAL code for both finite and infinite periodic systems. 

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Upcoming seminars and talks

CTM group webinar


Speakers: Anna Perfetto

Place: Microsoft Teams

Time: 10.00 am