New paper in the New Journal of Chemistry

We are pleased to announce a new paper from the NICE group: "Nature-inspired optimization of hierarchical porous media for catalytic and separation processes" Panagiotis Trogadas, Michael Nigra and Marc-Olivier Coppens New J. Chem., 2016, Accepted Manuscript, DOI: 10.1039/C5NJ03406J, First published online 12 Feb 2016

Hierarchical materials combining pore sizes of different length scales are highly important for catalysis and separation processes, where optimization of adsorption and transport properties is required. Nature can be an excellent guide to rational design, as it is full of hierarchical structures that are intrinsically scaling, efficient and robust. However, much of the "inspiration" from nature is, at present, empirical; considering the huge design space, we advocate a methodical, fundamental approach based on mechanistic features.

She will use ARCHER supercomputer for 6 months to study behavior of biomolecules confined in ordered amorphous silica through all-atom molecular dynamic simulations with explicit water and counter-ions.The simulations will provide a better understanding of the interplay between the adsorbed proteins and mesoporous materials which is necessary to improve drug delivery systems by improving stability and controlled release of the active drug at the site of interest.