Farewell to our dear Priyanka! 🥂 It was such a pleasure having you in the lab. Wishing you nothing but the best for your future!
CTM Group
@group-ctm.bsky.social
Chemical Theory and Modelling Group: Development and Application of theoretical tools to describe complex chemical phenomena @psl-univ.bsky.social @chimieparistechpsl.bsky.social #iCLeHS
Another great poster session at ThéMoSiA 2026! Well done! 👏🏻👏🏻
Proud to see our PhD students Parfaite Senou and Guanming Chen presenting their latest research at ThéMoSiA 2026 in Nantes. Good job! 👏🏻👏🏻
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!☺️
The i-CLeHS seminar was held as planned. Thanks to Yu ZHANG for his nice presentation.☺️
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!👏🏻
Huge congrats to the newest Doctor in the lab, Dr. Alfonso-Ramos! 🥳🎉Wishing you nothing but the best in your next chapter!😎
Sal Mosiashvili, who has recently started Master's degree in Chemistry at Chimie ParisTech, has joined us as an intern under the supervision of Dr. Ilaria Ciofini. Their project focuses on applying TDDFT to investigate photophysical properties of novel organic dyes. Welcome!👏🏻
Great talk from Prof. Juan C. Sancho-García @quantumalicante.bsky.social about "What DFT is about: choosing the right functional for the right reason at the right cost!" 👏🏻Huge thanks for the deep dive and the brilliant insights.☺️
We were pleased to host the seminar by Prof. Ciro A. Guido (University of Piemonte Orientale) on “Molecular Photophysics in Complex Environments: From the Theory of Open Quantum Systems to Effective Computational Schemes.” Many thanks for the insightful talk!👏🏻👏🏻
The fève has been found - we’ve got a king today! 👑✨ Wishing everyone a Happy New Year full of joy, luck, and sweet moments! 🎉🥧
We wrapped up the year with an inspiring seminar by Prof. Giuseppe Milano on nanoplastics modeling. Many thanks for the great talk! 🌊🔬
🎄🍽 Christmas Lunch 2025 Feasting, laughing, and making merry together! 🎉🍰 Wishing you joyful holidays ✨ and a New Year full of endless fun 🎊 and success! 💫
CECAM-Moser 1 Day Symposium 2025 📸 A great day of scientific exchange at our École. Many thanks to Prof. Carlo ADAMO and Dr. Maxime FERRER for their excellent presentations! 👏🏻👏🏻
The i-CLeHS seminar was held as planned. Thanks to Guanming CHEN for his nice presentation.☺️
Welcome to Roberta Salciute!👏🏻She joins us as a research intern under the supervision Dr. Thijs Stuyver, in collaboration with the start-up STILAE. She will work on developing a machine learning framework to predict the compatibility of complex liquid formulations. Bon courage!
The i-CLeHS seminar was held as planned. Thanks to Alexandre HUGUET for his nice presentation.☺️
Welcome to Niccolò Dipace🇮🇹, our new Ph.D. student!👏🏻He will work on developing a computational protocol combining DFT, TD-DFT and MD to study biocompatible, tunable, and reversible redox-responsive fluorescent metallocene-based probes under the supervision of Dr. Ilaria Ciofini.
Let's welcome Alessandro Amadeo, a 2nd-year Ph.D. student from the University of Messina🇮🇹, working in the field of artificial photosynthesis. During his visit in Paris, he will work with Dr. Ilaria Ciofini, performing calculations on the systems he synthesized. Bon courage!👏🏻👏🏻