François-Xavier Coudert

Latest news

• 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.
• April 2020: We #stayathome! To slow the outbreak of coronavirus and flatten the curve, we’re staying at home, taking care of ourselves and our families.
• April 2020: We are happy to publish our recenty work on graphene oxide and its behavior in liquid water, in Nature Communications. This is a collaboration with Marie-Laure Bocquet at École Normale Supérieure.
  
  You can also read Félix’s blog post about this paper!
• March 2020: Siwar and Romain’s latest work on machine learning for prediction of mechanical properties of zeolites is now online in Chem. Mater.
• February 2020: Congratulations to Wenke Li on the publication of her work on the properties of quantum dots in glass matrices by ab initio molecular dynamics, which is published in J. Am. Chem. Soc..
• December 2019: FX Coudert is named professeur attaché (joint professorship position) at École normale supérieure / PSL University.
• October 2019: Annual meeting of our “Small Molecule Lab” 🇫🇷🇯🇵, an international associated laboratory with iCeMS / Kyoto University Institute for Advanced Study.
• September 2019: Welcome to Maxime Ducamp, joining the group as a PhD student!
• August 2019: Our latest results on general design criteria for materials with negative gas adsorption in collaboration with the Kaskel group is published in Nature Communications.
• July 2019: Siwar Chibani’s work on mechanical properties of 13,621 inorganic compounds from the Materials Project database is now published in Chemical Science.
• June 2019: Congrats to Dr. Guillaume Fraux, who defended his PhD thesis!
• June 2019: FX Coudert is promoted to directeur de recherche at CNRS! 🎉🍾 That’s a “senior researcher” / “full professor” position in the French system.
• June 2019: “Metal-organic framework crystal-glass composites” is published in Nature Communications. In collaboration with the Bennett group in Cambridge, we present amorphous/crystalline composites of two different MOFs, with improved CO₂ adsorption properties.
• May 2019: Siwar Chibani’s latest work is published in J. Am. Chem. Soc., an exploration of polymorphism in ZIFs.
• April 2019: check out our review on mixed-metal MOFs in Chem. Soc. Rev.!
• March 2019: FX Coudert is among many chemists who were invited to “chart a course for chemistry” for the 10th anniversary of Nature Chemistry
• March 2019: Promoting low-temperature melting of MOFs with pressure is our latest study on MOFs in the liquid phase… you can read it in Nature Materials!
• February 2019: Congrats to Romain Gaillac on winning the GFZ award for his PhD work!
• February 2019: Welcome to Thibaud Dreher and Emmanuel Ren, who are joining the group!
• 2019: Happy and merry new year! We wish you all the best for the year to come!
• December 2018: FX Coudert is giving a keynote talk on “Soft Porous Crystals: Extraordinary Responses to Stimulation” at the MOF2018 conference in Auckland (New Zealand).
• September 2018: Welcome to Wenke Li, joining the group for two years as a PhD student from Wuhan University of Technology!
• July 2018: FX Coudert is awarded the “International Award for Creative Work” by the Japanese Society of Coordination Chemistry, for his theoretical studies of structures and properties of assembled metal complexes.
• June 2018: Negative Hydration Expansion, Fabien’s latest paper is out in Phys. Rev. Lett., and it is highlighted as “editor’s choice”.
• May 2018: The group’s first paper on graphene is out, in Nature Communications! Air separation with “defective” graphene, promoted by nanowindow flexibility, in collaboration with Katsumi Kaneko’s group from Shinshu University in Nagano.
• April 2018: The group’s first paper on the topic of polymer structure and dynamics at interfaces is out in J. Phys. Chem. B.
• February 2018: Our first two papers of the year are out… on Supramolecular Organic Frameworks and coadsorption prediction in flexible porous materials.
• 2018: Wishing you all a happy and merry new year! May you be blessed with good health, good friends, and good science!
• December 2017: Guillaume Fraux and Alain Fuchs’ latest review on intrusion of water and aqueous solutions in microporous materials was just published in Chem. Soc. Rev. A nice way to end the year!
• November 2017: Our work on Liquid MOFs is on the cover of Nature Materials!
• October 2017: Romain’s latest work on Liquid Metal-Organic Frameworks is now published online in Nature Materials! Part of a terrific collaboration with the group of Tom Bennett in Cambridge.
• August 2017: After a very nice summer break for all the group’s members, we’re proud to announce our first paper on the topic of machine learning for materials chemistry, courtesy of Jack! Currently in press in Chem. Mater.!
• June 2017: FX Coudert is one of the 2017 Chem Comm Emerging Investigators! The featured paper is a review of recent advances in computational chemistry of soft porous crystals, co-authored with PhD student Guillaume!
• April 2017: Chem. Mater. editorial by FX on Reproducible Research in Computational Chemistry of Materials, suggesting some best practices to improve reproducibility in our field of research.
• March 2017: our work in collaboration with Dani Kohen (Carleton College) using ab initio molecular dynamics to better understand CO₂ “trapdoor” adsorption in zeolite Na-RHO is out in Chem. Mater.
• February 2017: welcome to Laura Scalfi, who joins the group for her Masters’ project.
• January 2017: a good start to the year, as our perspective on defects, disorder and flexibility in metal–organic frameworks is published in Nature Chemistry’s January issue!
• December 2016: Jack Evans reveals the microsopic origins of Negative Gas Adsorption in a paper published in Chem! A collaboration with Lydéric Bocquet (Ecole Normale Supérieure, Physics department).
• Congratulations to Dr. Jean-Mathieu Vanson for a great PhD defense! Very successful collaboration with the Saint-Gobain research center (CREE) in Cavaillon.
• September 2016: The group’s review on Computational Chemistry for Nanoporous Materials is published in Chem. Mater.
• June 2016: The DynaMol summer school on molecular dynamics, organised by the group, was a great success. Thanks to all group members who lectured, and to all participants!
• May 2016: Congrats to Jack on his first paper in the group! Microscopic Mechanism of Chiral Induction in a MOF-5, published in JACS.
• April 2016: Negative gas adsorption? It sounds impossible, but we observed it in flexible “wonder MOF” DUT-49… and studied it in detail. Read all in this Nature letter, the first paper of an ongoing collaboration with the Kaskel group in Dresden.
• March 2016: Guillaume Fraux, 1st year PhD student, wins poster prize at French zeolite society (GFZ) meeting. Congrats Guillaume!
• 29 Feb ’16: Three in a row!
  Carbon dioxide solvation in molten carbonates, the results of a collaboration with Rodolphe Vuilleumier are published online in Nature Chemistry.
• February 2016: “Encoding Complexity within Supramolecular Analogues of Frustrated Magnets”, the result of a collaboration with Andrew Goodwin’s group in Oxford, is published online in Nature Chemistry.
• January 2016: Our work with Shane Telfer’s group on Controlled Partial Interpenetration in MOFs is published in Nature Chemistry. Great start to the year!
• December 2015: FX Coudert named Distinguished Member of the French Chemical Society (SCF)
• December 2015: Welcome to Dominika Lesnicki, joining the group as postdoc
• October 2015: FX Coudert awarded the Early-Career Researcher Award in Physical Chemistry, by French Chemical Society and French Physical Society
• Welcome to Jack Evans and Clarisse Péan who are joining the group as postdocs!
• September 2015: Molecular Simulation special issue on Framework Materials is out, co-edited with Tina Düren (University of Bath)
• Welcome to Dani Kohen (from Carleton College) who will be spending a one-year sabbatical in the group!
• Welcome to Romain, Guillaume, and Elsa who are starting their PhD in the group!
• August 2015: Our review on Computational characterization and prediction of metal–organic framework properties appears in Coord. Chem. Rev.!
• July 2015: Three visitors from down under in a month! Was glad to host Aaron Thornton, Jack Evans and Shane Telfer (chronological order) in our group!
• June 2015: Organizing and hosting the Workshop on Flexibility and Disorder in MOFs, June 3–5.
• May 2015: Insulator-to-proton-conductor MOF published in JACS!
• March 2015: We’re on the cover of Chem. Mater. this month!
• Feb. 2015: Welcome to Guillaume, who joins the group for his MSc project
• Jan. 2015: Romain obtains competitive PhD fellowship from École Normale Supérieure. He’ll start his PhD with us next term.
• Oct. 2014: Welcome to Liam, who starts his PhD, and Darrio, who joins as a postdoc.
• July 2014: Aurélie defends her PhD, and starts work at Saint Gobain Recherche. Congrats!
• July 2014: Lila and Félix earn their MSc with honors.
• June 2014: In collaboration with the University of Oxford and Stockholm University, we publish in Nature Communications the first demonstration of the possibility of designing MOFs that support correlated disordered states, which has large consequences on the properties of these materials (including mechanical stability and anomalous mechanical properties).