Sam Stevens



AFM height and error traces of the surface of LTA superimposed with a high resolution SEM image of the exact same area. Nanometer sized growth features are observable in both techniques.

Keith Butler



Using state-of-the-art simulation techniques, with high-performance hardware and in-house analysis tools we are able to show the water structuring effects of common templates used in zeolite synthesis. The results show how water structures isomorphic to final zeolite crystals form in the hydration layers of many templates. The movie above shows an MTN framework emerging in the hydration layer, as well as the importance of the amine group in n-propyl amine for stabilizing five-ring structures.

Kim Jelfs




The Zeogone program has been developed to investigate the effects of template molecules on surface growth. The program allows us for the first time to calculate the effect of the presence of a template molecule on surface growth step-by-step. Above is the growing surface of sodalite. The presence of TMA proves to be beneficial at almost all steps of sodalite surface growth.

Alan Lobo



An updated version of the ZEBEDEE code has been created in order to run in parallel on a local computing cluster. The code has also had functionality for better design of potential templated candidates adeed. The improved software/hardware are being used to find promising templates for the synthesis of Boggsite. Boggsite with its interlocking ten and twelve ring channels (shown above) seems like a good candidate for hydrocarbon-cracking purposes, however as yet has not been synthesized, the simulations should provide promising routes to lab-synthesized crystals.

Pablo Cubillas