This is Patrick Sitís web page. I am currently an associate research scholar in the Department of Chemistry at Princeton University working with Profs. Annabella Selloni, Morrel H. Cohen and Roberto Car. I completed my PhD in physics at MIT under the direction of Prof. Nicola Marzari in the Materials Science and Engineering Department. I obtained my undergraduate degree in physics from the University of Oxford.
I am interested in the application of state-of-the-art computational methods and the development of novel methodologies to study fundamental processes in nano- and biological systems of physical interest. My research experience ranges broadly over studies of the structural, electronic and dynamical properties of liquid systems, of surface chemistry, of electron transfer reactions, and of the catalytic activity of enzymes and electrocatalysts using density-functional techniques, first-principles molecular dynamics simulations and the hybrid QM/MM method. These works have led to high-impact publications in journals such as Proceedings of the National Academy of Sciences and Physical Review Letters.
You can find my CV here.
Department of Chemistry
Princeton, NJ 08544
Email: hsit at princeton dot edu