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

DOI: 10.1002/qua.26560

International Journal of Quantum Chemistry

In this work, we investigate the effects of different atomic charge and nonelectrostatic models on the hydration energies of neutral molecules, using an implicit solvation model. The solvation free energy...

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Upcoming seminars and talks

CTM group webinar


Speakers: Laure de Thieulloy

Title: "Theoretical Study of a New Class of Photoswitches Based on the Excited-State Cation Transfer"

Place: Microsoft Teams

Time: 11:30 am




News and Welcoming

Welcome to the group, Wang Qinfan!

We all welcome the new member of CTM group, Wang Qinfan. She has has just started her PhD under the supervision of Carlo. Her PhD thesis will be addressed to the study of aggregation induced emission phenomena. 

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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