Chemical Theory and Modelling Group
ChimieParisTech - PSL University

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Welcome
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.
Latest Publications
Upcoming seminars and talks
News and Welcoming
Welcome to the CTM group, Pietro!
Pietro Sciclone is attending his Double Degree Master between the University of Florence and Chimie ParisTech. He joined the group as an intern under the supervision of Prof. Davide Avagliano. Their project focuses on modelling proton-transfer photochemical reaction through nonadiabatic dynamics, studying the TD-DFT ability to perform such calculations.
Welcome to the CTM group, Sal!
Sal Mosiashvili has recently started their Master’s degree in Chemistry at Chimie ParisTech. They have joined the group as an intern under the supervision of Prof. Ilaria Ciofini. Their project focuses on applying TDDFT to investigate photophysical properties of novel organic dyes that can be used as drugs or biological probes.
Welcome to the CTM group, Niccolò!
Niccolò Dipace has just completed his Double Degree Master between the University of Florence and Chimie ParisTech. He is now starting his PhD under the supervision of Ilaria Ciofini, focusing on the theoretical development of a suitable computational protocol combining DFT, TD-DFT, and Molecular Dynamics (MD) for the study of biocompatible, tunable, and reversible redox-responsive fluorescent metallocene-based probes.



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