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

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!

Bild

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!

Bild

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! 👏🏻

BildBildBild

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!👏🏻

Bild

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!🤩

BildBildBild

Many thanks to Dr. Luigi Crisci from Scuola Superiore Meridionale for his insightful presentation "Code Interoperability as a Paradigm for High-Accuracy Structural Chemistry."☺️

Bild

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.👏🏻

Bild

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!

Bild

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!👏🏻👏🏻

Bild

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!☺️

Bild

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!👏🏻

Bild

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!👏🏻

Bild

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!👏🏻👏🏻

Bild

🎄🍽 Christmas Lunch 2025 Feasting, laughing, and making merry together! 🎉🍰 Wishing you joyful holidays ✨ and a New Year full of endless fun 🎊 and success! 💫

BildBildBildBild

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! 👏🏻👏🏻

BildBildBildBild

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!

Bild

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.

Bild

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!👏🏻👏🏻

Bild