François-Xavier Coudert

Latest news

• May 2024: As part of an collaboration with Shinshu University 🇯🇵, we are proud to present our latest work on H₂O/D₂O adsorption in flexible graphene oxide nanosheets, published in Nature Communications.
• April 2024: Prediction diffusion coefficients in nanoporous materials is a difficult problem, and Emmanuel’s latest paper proposes a new methodology: “Prediction of the Diffusion Coefficient through Machine Learning Based on Transition-State Theory Descriptors” is published.
• February 2024: Welcome to Ayoub Traverson, who joins the group for a MSc project.
• December 2023: Happy to announce the publication of a special issue on “Modelling and advanced characterization of framework materials” in Communications Chemistry, guest-edited by FX!
• November 2023: Congratulations to Ambroise De Izarra for publication of two papers in one week! 🏅 Both on intrusion of electrolytes: an analytical model and a series of Monte Carlo simulations.
• September 2023: Party time! Dr. Emmanuel Ren is awarded a PhD 🎓 following his defence.
• July 2023: Congratulations to Nicolas Castel on the very successful defence of his PhD!
• June 2023: FX Coudert is participating in the Telluride workshop “Returning to the Molecule: Thinking at the Chemical Level to Advance Understanding and Function in Synthetic Porous Frameworks”. Beautiful science, beautiful location! ⛰️
• May 2023: Read about Computation of Finite Temperature Mechanical Properties of ZIF Glasses by MD in Nicolas’ latest paper in Chem. Mater.
• April 2023: Our group’s @MOF_papers Twitter bot is featured in Chem. Mater.! Read more in this editorial.
• January 2023: Congratulations to Ambroise De Izarra and Emmanuel Ren for publishing the first two papers of the group in 2023: an alchemical osmostat for Monte Carlo simulation and a fast sampling method for characterizing nanoporous materials.
• December 2022: 🎥 We have published a short video tutorial of our CrystalNets web app for topology identification of crystalline materials.
• November 2022: Nicolas’ paper on the use of reactive force fields to describe amorphous ZIFs is published in J. Phys. Chem. C!
• September 2022: We are glad to welcome Dune André and Luca Brugnoli to the group!
• July 2022: Congratulations to Maxime Ducamp on passing his PhD defence! 🎓
• June 2022: Lionel publishes his first paper in the group, announcing a software package for the identification of crystalline topologies: CrystalNets.jl.
• June 2022: Emmanuel publishes a review on high-throughput computational screening of nanoporous materials in Digital Discovery!
• May 2022: We are part of a collaborative effort by 61 labs across the world to estimate the reliability of surfaces areas of porous materials calculated by the BET equation. Read the conclusions in Advanced Materials!
• April 2022: Our latest work on tunable acetylene sorption by flexible catenated metal–organic frameworks is published in Nature Chemistry! And it is presented in an article in Le Monde, leading French newspaper.
• April 2022: Nicolas’ review on models of amorphous MOFs, his first paper in the group, is published in J. Phys. Chem. C!
• February 2022: It’s a preprint month! Three PhD students in the group have posted one preprint each: Nicolas’ review on models of amorphous MOFs, Emmanuel’s review on computational screening of nanoporous materials, and Lionel’s work on topological determination.
• January 2022: First paper of the year, prediction of thermal properties through machine learning. Congratulations to Maxime for his great work.
• December 2021: After a busy fall term, it’s time to enjoy the holidays! 🎄
• October 2021: We welcome Lionel Zoubritzky and Ambroise De Izarra to the group!
• September 2021: We are glad to welcome Alex Neimark as a visiting professor in the group, coming from Rutgers University.
• August 2021: Emergence of Coupled Rotor Dynamics in MOFs is out in JACS! It’s the result of a research stay of Adrian Gonzalez-Nelson and Srinidhi Mula in Paris. Great collaboration with the group of Monique van der Veen!
• Summer break 2021: After a long and difficult year for all of us, with remote working, lockdowns, and other pandemic-related restrictions, we will enjoy a great and relaxing summer break! ☀️
• July 2021: Maxime Ducamp publishes a systematic study of zeolite thermal properties based on DFT calculations.
• June 2021: We have published a set of “best practices in machine learning for chemistry” in collaboration with different groups working in that area. Read it in Nature Chemistry.
• May 2021: Melting of hybrid organic–inorganic perovskites is our latest work in collaboration with the Bennett group at the University of Cambridge, and many others! Read it in Nature Chemistry.
• April 2021: our Perspective paper on the changing state of porous materials is published in Nature Materials! Follow the free to read link and learn more about novel porous liquids and glasses.
• March 2021: Welcome to Clément Wespiser, joining as a post-doctoral researcher after a PhD in the group of Patrick Ayotte at Sherbrooke University.
• January 2021: Our latest work on MOF catenation, in collaboration with the group of Omar Farha at Northwestern University is now published in JACS.
• December 2020: A 2014 paper by Félix Mouhat, who was at the time an undergrad in our group, has reached 1,000 citations! Congratulations Félix!
• October 2020: FX joins the board of Accounts of Materials Research, a new ACS journal publishing reviews and perspectives on materials science and engineering.
• September 2020: We welcome Nicolas Castel and Emmanuel Ren, who are joining the group and embarking on the path to a PhD! 🎓
• July 2020: Read our latest review of the group’s work on water adsorption in soft and heterogeneous nanopores in Accounts of Chemical Research.
• June 2020: Congratulations 🎊 to Maxime for the publication of his first paper in the group, on the behavior of UiO-66 frameworks under pressure!
• May 2020: Interested about the rise of preprints in chemistry? Read the latest recent comment in Nature Chemistry.