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
The i-CLeHS seminar was held as planned. Thanks to Guanming CHEN for his nice presentation.☺️
November 13, 2025 at 7:51 PM
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!
October 23, 2025 at 4:33 PM
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.☺️
October 16, 2025 at 3:46 PM
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.
October 13, 2025 at 3:48 PM
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!👏🏻👏🏻
calculations on the systems he synthesized. Bon courage!👏🏻👏🏻
September 12, 2025 at 4:17 PM
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!👏🏻👏🏻
calculations on the systems he synthesized. Bon courage!👏🏻👏🏻
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!
August 18, 2025 at 5:48 PM
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!
A lovely lunchtime picnic in Jardin du Luxembourg — perfect weather, delicious food, and wonderful company! 🌿🧺☀️
July 10, 2025 at 4:42 PM
A lovely lunchtime picnic in Jardin du Luxembourg — perfect weather, delicious food, and wonderful company! 🌿🧺☀️
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!👏🏻
Also thanks to our first-year Ph.D. students for their clear and concise presentations!👏🏻
June 19, 2025 at 3:53 PM
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!👏🏻
Also thanks to our first-year Ph.D. students for their clear and concise presentations!👏🏻
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!👏🏻
May 27, 2025 at 3:47 PM
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!👏🏻
Reposted by CTM Group
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...
chemrxiv.org/engage/chemr...
May 19, 2025 at 12:14 PM
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...
chemrxiv.org/engage/chemr...
The i-CLeHS seminar was held as planned. Thanks to Tianhong YAN for her nice presentation.😉
May 15, 2025 at 5:22 PM
The i-CLeHS seminar was held as planned. Thanks to Tianhong YAN for her nice presentation.😉
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".👏🏻👏🏻
May 13, 2025 at 4:54 PM
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".👏🏻👏🏻
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!👏🏻
April 29, 2025 at 4:33 PM
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!👏🏻
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!😊
April 17, 2025 at 10:21 AM
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!😊
The i-CLeHS seminar was held as planned. Thanks to Dr. Maxime FERRER for his wonderful presentation.😉
April 10, 2025 at 4:51 PM
The i-CLeHS seminar was held as planned. Thanks to Dr. Maxime FERRER for his wonderful presentation.😉
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!👏🏻
April 8, 2025 at 4:26 PM
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!👏🏻
Let's bloom this spring-new faces, fresh ideas, and growing discoveries!🌸 Here’s our latest group photo. 📸 👏🏻
April 2, 2025 at 12:21 PM
Let's bloom this spring-new faces, fresh ideas, and growing discoveries!🌸 Here’s our latest group photo. 📸 👏🏻
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.😉
March 28, 2025 at 5:14 PM
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.😉
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!😉
March 18, 2025 at 5:44 PM
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!😉
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!😊
March 17, 2025 at 5:42 PM
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!😊
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!😉
March 15, 2025 at 7:31 AM
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!😉
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!😉
March 14, 2025 at 9:13 PM
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!😉
The i-CLeHS seminar was held as planned. Thanks to Daniele MACCARONE for his nice presentation.😉
March 6, 2025 at 5:27 PM
The i-CLeHS seminar was held as planned. Thanks to Daniele MACCARONE for his nice presentation.😉