Latest news
- November 2024: Luca’s latest work in the group, on neural network-based interatomic potentials for zeolites is now published in J. Phys. Chem. C.
- October 2024: Congratulations to Dr. Lionel Zoubritzky on the award of his PhD! 🎓
- September 2024: Welcome to Léna Triestram and Fengming Shi who are joining the group as PhD students!
- July 2024: FX Coudert is a keynote speaker at the amazing MOF 2024 conference in Singapore 🇸🇬.
- June 2024: Congratulations to Dr. Emmanuel Ren, who has been selected as Finalist for the ENEN PhD Event & Prize 2024 by the European Nuclear Education Network Association.
- 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.
H2O/D2O adsorption in flexible graphene oxide nanosheets: you can read our recent work in Nature Communications!
Our latest work on the fast and accurate prediction of gas adsorption in nanoporous frameworks has been published in Chem. Mater.!
Our latest work on the tunable acetylene sorption by flexible catenated metal–organic frameworks has been published in Nature Chemistry!
Our latest Perspective paper on the changing state of porous materials has been published in Nature Materials! Follow the free to read link and learn more about novel porous liquids and glasses.
Our latest work on the melting of hybrid organic–inorganic perovskites to form stable liquids and melt-quenched MOF glasses has been published in Nature Chemistry!
Félix Mouhat’s study of the chemistry of graphene oxide in liquid water through first-principles molecular dynamics has been published in Nature Communications!
Promoting low-temperature melting of MOFs with pressure, our latest work has been published in Nature Materials!
