Elizabeth’s work focuses on using first principles calculations to study the electronic structure of layered 2-dimensional materials and ternary oxides for applications in artificial photosynthesis and advanced computing technology. A particular focus of Elizabeth’s work has been the use of transition metal dichalcogenides (TMDs) such as MoS2 for CO2 reduction photocathodes and the use of ternary metal oxides such as FeWO4 for water splitting photoanodes. An optimal photocatalyst must exhibit a band gap in the visible light range and appropriate band edge alignment to corresponding reaction potentials. Elizabeth has studied the effects of alloying and defects on the band gap and band edges of TMDs and ternary metal oxides. Elizabeth also works to calculate photovoltage in candidate photocatalysts, an important metric for photocatalytic effectiveness. Additionally, Elizabeth has studied valley splitting in TMDs generated by magnetic substrates towards developing general design principles for valleytronics heterostructures with switchable valley polarization for Beyond Moore’s Law computing technology.