Text Box: Our research interests focus on molecular simulations in confined systems with zeolites and related nanoporous materials used as catalysts and/or adsorbents and on the growth of materials themselves.   We are developing new force fields and classical simulation approaches for studying adsorption, diffusion and reaction in these materials.  

Text Box: Unit cells of FER– type zeolite. O in red, Si in yellow, and the four crystallographically different T-atoms in green Angewandte Chemie International Edition 46(1-2) 276-278 (2007)

Text Box: Last updated: May, 2009