New group member
September 2023. Stefani Setiono joins our group as PhD student. Welcome! Stefani will work on developing new methods to predict the performance of gas separation membranes.
New paper
August 2023. 2nd paper from our Leverhulme Trust funded project on computational design of artificial water channels is out.
New paper
August 2023. Congratulations to Mengru on her first paper. A very important outcome of this fundamental study was to show that PFOA is adsorbed in neutral form in narrow pores of hydrophobic zeolites.
New PhD graduation
May 2023. PhD number 6 from the group. Congratulations to Kai on earning his PhD. Well done Dr Kai.
New paper
February 2023. Congratulations to Fan on his first paper, which is on the functionalization of 1-D MOFs to create artificial water channels.
New paper
February 2023. New year's first paper is from Selman. Congratulations on his work on investigating fluorine functionalized MOFs for PFOA removal from water.
New group member
January 2023. Dr Romain Réocreux joins our group. Welcome! Romain will work on computational investigation of water diffusion in confinement.
New paper
November 2022. A new paper has been published in collaboration with Prof Coskun's group at University of Fribourg. Our computational modelling explains why CO2 selectivity of carbonnitride membranes increase upon light irradiation.
New paper
October 2022. Francois' paper on the encapsulation and stabilization of Aquaporin proteins in silica nanopores has been published.
New paper
June 2022. Kai's third paper investigates the enhanced recovery of natural gas with supercritical carbondioxide in kerogen micropores.
New paper
March 2022. Dr Yazaydin publishes on the capture of 1-bromopropane using zeolites.
New paper
November 2021. A new paper has been published in collaboration with Prof Coskun's group at University of Fribourg. Our computational modelling explains why H2 selectivity increases with decreasing pore size of gold nanopores on graphene substrates.
New paper
October 2021. Kai's second paper, which has just been published, examines the diffusive behavior of methane molecules in kerogen matrices of different types (Type I, II, and II) and maturity levels (A to D for Type II kerogens) on a molecular scale.
New paper
September 2021. Congratulations to Rafael Madero-Castro, who spent 3 months in our group just before the pandemic hit, which resulted in this short but nice paper on the role of hydrogen bonding in pervaporative dehydration of bioalcohols in hydrophobic membranes.
New group member
March 2021. Dr Fan Li joins our group. Welcome! Fan will work on computational design of biomimetic porous membranes. The project is supported by the Leverhulme Trust.
New group member
February 2021. Dr Francois Sicard joins our group. Welcome! Francois will work on computational investigation of protein stability in porous materials. The project is supported by our EPSRC New Horizons Grant.
New grant
October 2020. Dr Yazaydin has been awarded an EPSRC New Horizons Grant. We'll soon be recruting a postdoc.
New group member
September 2020. Mengru Zhang joins our group as PhD student. Mengru will be funded by the CSC-Deans Prize. Welcome Mengru!
New paper
August 2020. Our collaborative paper with researchers at NYU Abu Dhabi on the removal of PFOA from water has been published.
New paper
May 2020. Congratulations to Kai on his first PhD paper which provides computational evidence that under confinement methane hydrate growth can take place at much lower pressures than required in the bulk.
New grant
April 2020. We've been awarded a new grant by the Leverhulme Trust to design and engineer biomimetic porous membranes for clean water applications. We'll soon be recruting a postdoc.
New paper
January 2020. Aydin's paper on quantifying the effects of interfacial resistances in mixed-matrix membranes on gas separation selectivity has been published in Chemistry of Materials. What a great start to 2020.
New paper
October 2019. Our collaborative paper with the Gliemann group at Karlsruhe Institute of Technology on ZnO@ZIF-8 sensors has been published.
New paper
August 2019. Sada's paper on the direct simulation of ternary mixtures in membranes at molecular scale has been published.
New paper
June 2019. Joint paper with Prof Gundog Yucesan from Technical University of Berlin on Alkali-phosphonate MOFs. This one made it to the cover.
New PhD graduation
May 2023. Many congratulations to Ben on completing his PhD. Well done Dr Tam!
New paper
March 2019. Our collaborative paper on understanding methane/carbon dioxide adsoprtion in clay nano- and meso-pores with Constant Reservoir Composition Molecular Dynamics Modeling has been published.
New paper
January 2019. Another joint paper from our group with Prof Jens Beckmann and Prof Gundog Yucesan has been published and makes it to the cover of ChemComm. This one is on the synthesis of a cobalt arylphosphonate MOF with superior stability, sorption and magnetism properties.
New paper
January 2019. What a merrily start to the new year. Our collaborative paper with the Ladewig group at Karlsruhe Institute of Technology on gas permeation through single-crystal ZIF-8 membranes has been published.
New paper
November 2018. Sada's paper on the computational design of electric field stimulus responsive MOF materials for nanofluidic applications has been published.
Collaboration visit
July 2018. Prof Thijs Vlugt and his research group from Delft University of Technology visited us for a joint workshop.
New PhD graduation
May 2023. Yazaydin research group gives its first PhD graduates at UCL. Many congratulations to Işıl on completing her PhD. Well done Dr Akpinar!
New PhD graduation
May 2018. Yazaydin research group gives its first PhD graduates at UCL. Many congratulations to Naghmeh on completing her PhD. Well done Dr Bidokhti!
Poster award
April 2018. Congratulations to Sada on being awarded a "Molecular Systems Design & Engineering" poster prize by the Royal Society of Chemistry at the UK MOF Symposium which was held in Southampton, 9-10 April 2018.
New paper
March 2018. Işıl's paper on the removal of atrazine from water using MOFs has been published.
New paper
December 2017. Işıl's paper on the removal of carbamazepine from water using MOFs has been published.
New paper
October 2017. Our paper on the use of grand canonical molecular dynamics simulations to study CO2 and H2O Intercalation in Smectite Clays has been published.
New group member
September 2017. Kai Bin Yu joins the Yazaydin research group. Kai has won the prestigious H. Walter Stern scholarship and will be working on the formation of methane hydrates in confinement. Welcome Kai!
New group member
September 2017. Dr Sadanandam Namsani joins our group as a postdoctoral research fellow from IIT Kanpur where he obtained his PhD. Welcome Sadanandam!
New paper
April 2017. Nano butterfly valves? May be one day! Ben's paper on the design of electric field controlled molecular gates mounted on metal-organic frameworks has been published in Journal of Materials Chemistry A.
New paper
March 2017. Our landmark paper on a new non-equilibrium Molecular Dynamics simulation method to simulate membrane separations; Concentration Gradient Driven Molecular Dynamics (CGD-MD), has been published in Chemical Science.
