Zeolite microscopy studied by molecular simulation

Simulation of adsortion of Benzene and Propylene in MOR-type zeolites

Modeling the loading dependency of diffusion in zeolites: the relevant site model

Modeling the loading dependency of diffusion in zeolites: the relevant site model extended to mixtures in DDR-type zeolite

Adsorption and diffusion of alkanes in Na-MOR Modeling the effect of the aluminium distribution

Computing the heat of adsortion using molecular simulations: the effect of strong coulombic interactions