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
- 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.