Shane M. Parker

Shane M. Parker is an Associate Professor at Case Western Reserve University, specializing in computational and quantum chemistry. His research focuses on developing electronic structure theories to predict photochemical reaction mechanisms and advancing technologies for light-driven chemical synthesis and power generation.

• Education: B.S. in Chemistry & Mathematics (2008) from the University of Florida; Ph.D. in Chemistry (2014) from Northwestern University; Postdoctoral Fellow (2014–2019) at the University of California, Irvine.

His work combines Time-Dependent Density Functional Theory (TDDFT), surface hopping, and non-adiabatic dynamics to model photochemical processes in molecular materials. Key applications include RNA metabolic labeling, γ-graphyne synthesis, and light-controlled reactions.

Recent publications highlight advancements in electronic structure algorithms, ultrafast photodynamics, and carbon nanomaterial characterization. His group actively develops open-source simulation tools for exploratory photochemical research.

Professor Parker welcomes postdoctoral, graduate, and undergraduate students to join his research team. Contact him via shane.parker@case.edu.

His laboratory collaborates with experimentalists to validate theoretical predictions through spectroscopic measurements and numerical experiments, bridging computational and empirical approaches to solve complex photochemical challenges.