eFF, a method to simulate large scale excited electron dynamics

About me

I received a PhD in chemistry from Caltech in 2007, and also have BS degrees in physics and biology from Caltech. My CV contains more details. I work in the field of computational chemistry.

Research interests

I am interested in the behavior of functional molecular assemblies and materials that participate in activities such as catalysis, energy transduction, and information transfer. I would like to understand the physics and chemistry underlying existing systems, and develop tools to design new systems as well.

Past work

I developed eFF with Prof. Bill Goddard during my PhD work with him at Caltech. In addition to that project, which became my thesis, I worked on modeling organic reactions using density functional theory (developing new substrates for a modified Cope reaction; improving a hypervalent iodine oxidant), and on modeling solvation in clusters (water clusters with a new density functional; iodine dissociation in benzene clusters).

Contact me

My e-mail address is jsu@caltech.edu.