Dr. Allen LaCour

I am interested in understanding liquid interfaces and their potential for altering chemical reactivity. To this end, I develop models for the experimentally obtained spectra of these interfaces. I am also interested in understanding adsorption thermodynamics at interfaces to better design chemical systems for specific reactions.

Dr. Joseph Heindel

I am interested in physically realistic descriptions of aqueous interfaces with a particular focus on observations of enhanced reactivity in sprayed and emulsified microdroplets. This usually involves a combination of molecular dynamics and high-level electronic structure calculations. I also work on the construction of advanced force fields that aim to quantitatively reproduce an energy decomposition analysis, including all many-body contributions. In the long-term, I hope to combine these advanced force fields with machine learning to bring more physical realism to the exciting field of machine-learned interatomic potentials.