Summary
Small metal nanoparticles are commonly used as materials to accelerate chemical reactions of importance, such as the production and use of fuels and chemicals. However, it is difficult to control the structures of these nanoparticles and how molecules interact with their surfaces. This limits the ability to control and tune their performance. This project will develop computational approaches to examine metal clusters within tiny, ordered pores of aluminosilicate materials called zeolites. The work will combine computer simulations and machine learning to understand how these clusters are fo
