Alain Fuchs’ Molecular Simulation group

Chimie ParisTech   &   LECIME

A few words about the group

Welcome to the molecular simulation group webpage!

We have relatively little content around here, and try to keep it up-to-date. If any information is missing, you can write us for more information

News

• May ’13 — We’re making the final preparations for our upcoming Workshop on Adsorption in Compliant Solids, to be held on June 5—7 2013, here at Chimie ParisTech.
• 5 April ’13 — We're very glad to welcome professor Michele Parrinello to Paris for a seminar at Chimie ParisTech. Molecular dynamics simulation of nucleation and growth of crystals from solution (full abstract and details here).
• Nov. ’12 — Our work on mechanical properties of “breathing” MOFs (Soft Porous Crystals) was just published in Phys. Rev. Lett.
  
  
• Sep. ’12 — Welcome to Dr Quang Tri Doan, who joined our group as post-doctoral researcher!
• July ’12 — Marta De Toni is now Marta De Toni, PhD. She has successfully defended her Ph.D thesis on July 13. Congratulations!
• June ’12 — On June 12, Alex Neimark will give his closing International Blaise Pascal Research Chair conference, with an introduction by Alain Fuchs. Click here for the announcement flyer.
• Jan. ’12 — The new year starts with a bang! Our minireview on theoretical methods for Soft Porous Crystals ranks among the 5 top-viewed articles of ChemPhysChem in 2011, and was highlighted in the first editorial of 2012!
• Dec. ’11 — Our 2010 J. Phys. Chem. Letter was selected as “hot paper”, and we were thus asked to provide a slidecast narrating our findings... Follow the link for this 8-minute webinar.
• Dec. ’11 — Jorge Peixinho was recruited as CNRS Researcher in Le Havre. Congrats to him on this exciting new position!
• Oct. ’11 — Congrats to Marta De Toni who won the Best Poster Award at JFJPC12!
• Sep. ’11 — Welcome to Aurélie Ortiz, who is starting her PhD in our group!
• July ’11 — Carlos Triguero won the Prize for Best Poster for Theoretical Studies at FEZA 2011.
• May ’11 — We’re making the final preparations for our upcoming Workshop on Adsorption in Compliant Solids: Theory, Simulation, and Experiments, to be held on June 9—11 2011, here in Paris.
• Feb. ’11 — The editorial of J. Phys. Chem. Lett.’s first anniversary cites our recent work on structural transitions in metal–organic frameworks (“breathing” in MIL-53).
• Jan. ’11 — We are happy to announce the organization of a Workshop on Adsorption in Compliant Solids in Paris, from June 9 to 11, 2011. This event will be held under the auspices of CNRS.
• Dec. ’10 — A warm welcome to Jorge Peixinho, who joins us on a CNRS/EDF joint research project.
• Summer ’10 update — News haven't been updated quite regularly, but we've been busy ! Four new papers on metal–organic frameworks: on amino MIL-53, on water in hydrophobic nanopores, and two methodological papers (1, 2) on MOF flexibility.
• Feb. ’10 — We're glad to welcome Carles Triguero, who joins the group as a post-doctoral researcher.
• Oct. 09 — An analytical model of flexible nanoporous materials allows, using experimental adsorption isotherms at different temperatures, to predict a full temperature–pressure phase diagram. Read more in Angewandte Chemie...
• Oct. 09 — We're glad to welcome Marta De Toni as she starts here PhD with us.
• Sep. 09 — A postdoctoral research position is open in our group, jointly with prof. Alex Neimark, for work on molecular simulation and statistical thermodynamics of adsorption deformation in nanoporous materials. Follow the link for the details.
• Sep. 09 — We are happy to welcome professor Alexander Neimark (from Rutgers University) in our group, who was awarded a Blaise Pascal Research Chair.
• July 09 — We propose a generic analytical method for prediction of mixture coadsorption in flexible MOFs, based only on pure-component adsorption isotherms. Read more in the Journal of the American Chemical Society...
• Feb. 09 — Last year’s PCCP article has been selected as one of the 10 Tenth Anniversary Articles of PCCP. Read it here: Thermodynamics of water intrusion in nanoporous hydrophobic solids, Cailliez et al., PCCP, 2008.
  
• Jan. 09 — Selvarengan Paranthaman has joined our group as a post-doctoral researcher. He'll be working on CO₂/CO gas separation using novel nanoporous materials.
• Oct. 08 — We’re currently looking for a post-doctoral researcher to join the group and study gas coadsorption in novel nitrogen-based hybrid nanoporous materials. Learn more...
• Sept. 08 — A new JACS paper where we propose a generic thermodynamic framework (and taxonomy) for understanding guest-induced structure transitions in flexible nanoporous materials.
• Aug. 08 — A recent article is on the cover of the PCCP themed issue on “Water at Interfaces”!
  
  Read it here: Thermodynamics of water intrusion in nanoporous hydrophobic solids, Cailliez et al., PCCP, 2008.