CRYSTAL GROUP

In collaboration with Prof. Piero Ugliengo and the Theoretical Chemistry group (http://www.theochem.unito.it/ ) of the Department of Chemistry of the University of Turin we are investigating the behavior of mesoporous silica materials with pharmaceutical products embed within. 

These systems are employed as drug delivery systems and thus their investigation has a huge relevance in the field of health care. The host-guest interaction and guest-guest interactions are often dominated by dispersive forces which are not well accounted for by density functional theory, therefore one of the common goal is to implement new functionals corrections with dispersive terms into the periodic ab initio CRYSTAL code ( http://www.crystal.unito.it/  , http://www.crystalsolutions.eu/ ) developed at the University of Turin.