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.






