Work carried out in ASC published in the Journal Nature

Work carried out by Mario del Pópolo and Gavin Melaugh durring their time as members of the ASC has been published in the world leading scientific journal Nature. The concept of the work was to design and simulate porous liquids, i.e. liquids that contain permanent pores within the molecule. This has garnered a lot of attention in both local and international media. Many science based social media pages have also covered this achievement with comment sections full of amazement, scientific intrigue and optimism for the future. Mario and Gavin worked on simulations of porous liquids as part of a collaboration with collegues in the QUB School of Chemistry and Chemical Engineering (C&CE) who were synthesising the molecules in question. Through this link to C&CE further collaborations with groups in Liverpool, Germany and France were carried out. The results of the simulations of Mario and Gavin were instrumental in designing the molecules that form the porous liquid. In addition they investigated the theory behind the gas absorption properties observed in experiments by a mixture of monte carlo and molecular dynamics simulations. Mario left the ASC in 2011 and is now based at the Universidad Nacional de Cuyo, Mendoza, Argentina and is a Principle Investigator of Project ENACT funded by the European Commission (Horizon 2020). Mario is also a Honorary Lecturer of the Atomistic Simulation Centre. Gavin now holds a postdoctoral research position at the University of Edinburgh. All of the ASC family congratulates Mario and Gavin on this well diserved recognition for all their hard work.

Links

Paper on Nature.com Queen's University Belfast Press Release MOF Technologies press releasei Article by Argentinian research council (CONICET) (in Spanish)