Take a look at these two exciting papers that were recently published in PCCP:
A microiterative intrinsic reaction coordinate method for large QM/MM systems
Iakov Polyak, Eliot Boulanger, Kakali Sen and Walter Thiel
DOI: 10.1039/C3CP51669E
First principles derived, transferable force fields for CO2 adsorption in Na-exchanged cationic zeolites
Hanjun Fang, Preeti Kamakoti, Peter I. Ravikovitch, Matthew Aronson, Charanjit Paur and David S. Sholl
DOI: 10.1039/C3CP52246F
