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CTM Group

@group-ctm.bsky.social
30 followers 17 following 49 posts

Chemical Theory and Modelling Group: Development and Application of theoretical tools to describe complex chemical phenomena @psl-univ.bsky.social @chimieparistechpsl.bsky.social #iCLeHS

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CTM Group @group-ctm.bsky.social · 21/09/2026
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. 🥳✨
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CTM Group @group-ctm.bsky.social · 13/07/2026
Farewell to our dear Priyanka! 🥂 It was such a pleasure having you in the lab. Wishing you nothing but the best for your future!
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CTM Group @group-ctm.bsky.social · 10/07/2026
Another great poster session at ThéMoSiA 2026! Well done! 👏🏻👏🏻
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CTM Group @group-ctm.bsky.social · 08/07/2026
​Great poster session at ThéMoSiA 2026! Well done! 👏🏻👏🏻
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CTM Group @group-ctm.bsky.social · 07/07/2026
Proud to see our PhD students Parfaite Senou and Guanming Chen presenting their latest research at ThéMoSiA 2026 in Nantes. Good job! 👏🏻👏🏻
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CTM Group @group-ctm.bsky.social · 03/06/2026
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!
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CTM Group @group-ctm.bsky.social · 29/05/2026
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!
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CTM Group @group-ctm.bsky.social · 28/05/2026
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! 👏🏻
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CTM Group @group-ctm.bsky.social · 24/04/2026
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!👏🏻
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CTM Group @group-ctm.bsky.social · 16/04/2026
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!🤩
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CTM Group @group-ctm.bsky.social · 15/04/2026
Many thanks to Dr. Luigi Crisci from Scuola Superiore Meridionale for his insightful presentation "Code Interoperability as a Paradigm for High-Accuracy Structural Chemistry."☺️
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CTM Group @group-ctm.bsky.social · 02/04/2026
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.👏🏻
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CTM Group @group-ctm.bsky.social · 01/04/2026
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!
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CTM Group @group-ctm.bsky.social · 30/03/2026
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!👏🏻👏🏻
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CTM Group @group-ctm.bsky.social · 26/03/2026
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!☺️
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CTM Group @group-ctm.bsky.social · 12/03/2026
The i-CLeHS seminar was held as planned. Thanks to Yu ZHANG for his nice presentation.☺️
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CTM Group @group-ctm.bsky.social · 10/03/2026
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!👏🏻
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CTM Group @group-ctm.bsky.social · 27/02/2026
Huge congrats to the newest Doctor in the lab, Dr. Alfonso-Ramos! 🥳🎉Wishing you nothing but the best in your next chapter!😎
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CTM Group @group-ctm.bsky.social · 19/02/2026
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!👏🏻
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CTM Group @group-ctm.bsky.social · 17/02/2026
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.☺️
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CTM Group @group-ctm.bsky.social · 29/01/2026
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!👏🏻👏🏻
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CTM Group @group-ctm.bsky.social · 16/01/2026
Our group's most royal day is here! 👑✨😎
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CTM Group @group-ctm.bsky.social · 06/01/2026
The fève has been found - we’ve got a king today! 👑✨ Wishing everyone a Happy New Year full of joy, luck, and sweet moments! 🎉🥧
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CTM Group @group-ctm.bsky.social · 17/12/2025
We wrapped up the year with an inspiring seminar by Prof. Giuseppe Milano on nanoplastics modeling. Many thanks for the great talk! 🌊🔬
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CTM Group @group-ctm.bsky.social · 16/12/2025
🎄🍽 Christmas Lunch 2025 Feasting, laughing, and making merry together! 🎉🍰 Wishing you joyful holidays ✨ and a New Year full of endless fun 🎊 and success! 💫
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CTM Group @group-ctm.bsky.social · 15/12/2025
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! 👏🏻👏🏻
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CTM Group @group-ctm.bsky.social · 13/11/2025
The i-CLeHS seminar was held as planned. Thanks to Guanming CHEN for his nice presentation.☺️
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CTM Group @group-ctm.bsky.social · 23/10/2025
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!
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CTM Group @group-ctm.bsky.social · 16/10/2025
The i-CLeHS seminar was held as planned. Thanks to Alexandre HUGUET for his nice presentation.☺️
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CTM Group @group-ctm.bsky.social · 13/10/2025
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.
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CTM Group @group-ctm.bsky.social · 12/09/2025
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!👏🏻👏🏻
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CTM Group @group-ctm.bsky.social · 18/08/2025
Dr. Ilaria Ciofini and Ph.D. student Tianhong Yan attended the ACSFall2025 Digital Meeting – Global Virtual Symposia. Great opportunity to exchange ideas with the global chemistry community!
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CTM Group @group-ctm.bsky.social · 10/07/2025
A lovely lunchtime picnic in Jardin du Luxembourg — perfect weather, delicious food, and wonderful company! 🌿🧺☀️
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CTM Group @group-ctm.bsky.social · 19/06/2025
A big thank you to Dr. Davide Avagliano and Prof. Ramon Vilar for their inspiring talks at the wonderfully organized i-CLeHS Scientific Day! 🧪🤩 Also thanks to our first-year Ph.D. students for their clear and concise presentations!👏🏻
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CTM Group @group-ctm.bsky.social · 27/05/2025
Welcome to Guanming CHEN, the first-year Ph.D. student under the supervision of Dr. Thijs Stuyver. He is workong on molecular property prediction, with a particular focus on the roughness of molecular property landscapes and its impact on predictive performance. Bon courage!👏🏻
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Reposted by CTM Group
thijsstuyver.bsky.social @thijsstuyver.bsky.social · 19/05/2025
New preprint from our group: Screening Diels-Alder reaction space to identify candidate reactions for self-healing polymer applications (1/5) chemrxiv.org/engage/chemr...
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CTM Group @group-ctm.bsky.social · 15/05/2025
The i-CLeHS seminar was held as planned. Thanks to Tianhong YAN for her nice presentation.😉
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CTM Group @group-ctm.bsky.social · 13/05/2025
Thanks to Dr. Li RAO, Associate Professor at Central China Normal University, for delivering a fascinating talk today on "Computer Aided covalent/non-covalent Drug Design Tools based on Quantum Chemistry".👏🏻👏🏻
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CTM Group @group-ctm.bsky.social · 29/04/2025
Marta Cianchi, a master student from the University of Florence, is interning under Prof. Carlo Adamo. She is working on ambimodal reactions through topological analysis of the electron density and the impact of different DFT models on the description of the potential energy surface. Welcome!👏🏻
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CTM Group @group-ctm.bsky.social · 17/04/2025
From April 15 to 17, Prof. Matthias Ernzerhof from Université de Montréal, invited professor in our group for 1 month, delivered a series of three advanced lectures on DFT. We sincerely thank him for sharing his expertise. We hope he is enjoying his time here!😊
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CTM Group @group-ctm.bsky.social · 10/04/2025
The i-CLeHS seminar was held as planned. Thanks to Dr. Maxime FERRER for his wonderful presentation.😉
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CTM Group @group-ctm.bsky.social · 08/04/2025
Niccolò Dipace, a master student at the University of Florence, is undertaking his internship under the supervision of Dr. Ilaria Ciofini. He is focusing on developing a computational protocol rooted on DFT and TD-DFT for fluorescent metallocene-based probes. Welcome!👏🏻
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CTM Group @group-ctm.bsky.social · 02/04/2025
Let's bloom this spring-new faces, fresh ideas, and growing discoveries!🌸 Here’s our latest group photo. 📸 👏🏻
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CTM Group @group-ctm.bsky.social · 28/03/2025
Welcome to Dr. Maxime Ferrer!🥳He joined us as a postdoctoral researcher in December 2024. Currently, he is working on applying deep learning to automate and accelerate the exploration of chemical reactive space under Dr. Thijs Stuyver. May you have a nice experience here.😉
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CTM Group @group-ctm.bsky.social · 18/03/2025
Carlo Albani, a master student at the University of Bologna, is interning under the supervision of Dr. Davide Avagliano. He focuses on non-adiabatic dynamics, in particular extending the Ab-Initio Multiple Spawning algorithm to simulate a pump-probe experiment. May you have a nice experience here!😉
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CTM Group @group-ctm.bsky.social · 17/03/2025
Marion Menillet is a master student of the ICI PSL Master. She is currently doing her M2 internship under the supervision of Dr. Fanny d'Orlye and Dr. Davide Avagliano to computationally investigate the self-assembly properties of peptides for theranostic applications. Welcome!😊
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CTM Group @group-ctm.bsky.social · 15/03/2025
Welcome to Alessandro Loreti from the University of Bologna.👏🏻 👏🏻During his 6-month stay, he will learn machine learning from Dr. Davide Avagliano and incorporate it into his previous works to obtain new algorithms to efficiently integrate different quantum-chemical methods. Enjoy!😉
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CTM Group @group-ctm.bsky.social · 14/03/2025
Ivan Mercurio, from the University of Campania "Luigi Vanvitelli", joined us as a Visiting PhD-student. His research will focus on application of QM/MM simulations for protein-metal ligands complexes under the supervision of Prof. Carlo Adamo and Dr. Davide Avagliano. Welocme and have a nice time!😉
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CTM Group @group-ctm.bsky.social · 06/03/2025
The i-CLeHS seminar was held as planned. Thanks to Daniele MACCARONE for his nice presentation.😉
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CTM Group @group-ctm.bsky.social · 20/02/2025
Hello world!
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