
Chemical Theory and Modelling Group: Development and Application of theoretical tools to describe complex chemical phenomena @psl_univ @ChimieParisTech #iCLeHS
Paris, France
Joined December 2018
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A moment worth celebrating! 👏🏻 Congratulations, Dr. Yan! 🎉 Wishing you all the best and continued success in your next chapter! 🎓✨
Big congratulations to Dr. Zhang on this fantastic achievement! 🎓🎉 We’re so proud to celebrate this milestone with you and wish you all the best for the exciting journey ahead. 🥳✨
Farewell to our dear Priyanka! 🥂 It was such a pleasure having you in the lab. Wishing you nothing but the best for your future!
Another great poster session at ThéMoSiA 2026! Well done! 👏🏻👏🏻 xitter.cf/group_ctm/status/20755…
Proud to see our PhD students Parfaite Senou and Guanming Chen presenting their latest research at ThéMoSiA 2026 in Nantes. Good job! 👏🏻👏🏻 xitter.cf/group_ctm/status/20744…
Huge thanks to Prof. Sandra Gómez (Universidad Autónoma de Madrid) for the nice talk on "Towards condensed systems using nonadiabatic quantum dynamics" today. So grateful for your time and the inspiring seminar!
Thanks to Dr. Dario Calvani (HZDR/CASUS) for his fantastic talk on "Navigating the Multiscale Computational Ladder for Catalysis, Transport, and Molecular Self-Assembly in Functionalized Two-Dimensional Materials." We truly appreciate you sharing your expertise with us!
Thanks to our first-year Ph.D. students for their clear and concise presentations at the wonderfully organized i-CLeHS Scientific Day! 🧪 Great job everyone! 👏🏻
Abir KEBABSA has joined us as a postdoctoral researcher under the supervision of Dr. Ilaria Ciofini. Her research focuses on the modelling of Hexafluoroisopropanol and its effects on molecular properties and reactivity, using a combined Molecular Dynamics/DFT approach. Welcome!👏🏻
Congratulations to Dr. Ilaria Ciofini on being awarded la médaille d'argent CNRS 2026!🥳
We feel truly happy to see her research impact acknowledged with such a prestigious distinction. Wishing her continued success and more breakthroughs ahead!🤩
Many thanks to Dr. Luigi Crisci from Scuola Superiore Meridionale for his insightful presentation "Code Interoperability as a Paradigm for High-Accuracy Structural Chemistry."☺️
Welcome to Jie Sun! He joined us as a postdoctoral researcher under the supervision of Dr. Frédéric Labat and Dr. Ilaria Ciofini. He will focus on the modelling of 2D heterojunctions and the investigation of their optoelectronic properties through first-principles calculations.👏🏻
Welcome to Jeremiah MAINA👏🏻 Our new PhD student (co-tutele with the University of Nairobi) will work on the integration of Raman and NIR spectroscopy with quantum chemistry to study molecular vibrational properties under the supervision of Dr. Davide Avagliano. Bon courage!
Feven Alemu Korsaye has joined the group as a postdoctoral researcher to work on the MaMa project, which aims to develop integrated computational approaches for the description and design of innovative mechanochromic materials. Welcome!👏🏻👏🏻
Welcome to Mary GOFFE, a Master’s student at the University of Bologna👏🏻. She will focus on the computational modeling of NIR-activated photocages, investigating excited-state properties and photochemical pathways under the supervision of Dr. Davide Avagliano. Bon courage!☺️
Welcome Pietro Sciclone! A Double Degree Master student (University of Florence & Chimie ParisTech), Pietro joins us as an intern under Dr. Davide Avagliano. They focus on modelling proton-transfer photochemical reaction through nonadiabatic dynamics. Bon courage!👏🏻































