Dr Lucas Bao is an emerging leader in theoretical and computational chemistry, currently serving as Assistant Professor of Chemistry at Boston College, having begun his appointment in the Chemistry Department in July 2020, with his tenure-track position commencing in July 2021. He earned his Ph D in Chemistry from the University of Minnesota in 2018 under the guidance of Professor Donald G Truhlar, completing his doctoral research on reaction rate theory, and subsequently conducted postdoctoral studies at Princeton University with Professor Emily A Carter. Dr Bao's academic journey reflects a deliberate progression from foundational theoretical work to independent research leadership in chemical dynamics and kinetics. His appointment at Boston College established him as a principal investigator building a research program that bridges quantum mechanics, statistical thermodynamics, and applied mathematics to address complex chemical challenges.
Dr Bao's research group develops sophisticated theories and computational algorithms to elucidate the physical principles governing complex kinetics and dynamical behaviors across chemical systems ranging from gas-phase collisions to interfacial and condensed-phase reactions. His work provides critical insights into electronic structures of reactive intermediates, reaction mechanisms, and detailed kinetics of clean-energy driven catalysis including electrocatalysis and photocatalysis, with significant contributions to atmospheric chemistry modeling tropospheric trace gases. With over 5,265 citations according to Google Scholar, his methodological contributions have advanced the field's ability to predict intricate catalytic kinetic information such as activation energy, kinetic isotope effects, and selectivity. His research uniquely integrates quantum mechanics, statistical thermodynamics, and solid-state physics to create reliable computational frameworks that address previously intractable chemical complexities.
Recognized with prestigious awards including the American Chemical Society Petroleum Research Fund Doctoral New Investigator award in 2022 and election as a Fellow for Scialog Sustainable Minerals Metals and Materials in 2024, Dr Bao has established himself as an innovative voice in computational chemical dynamics. His group continues to pioneer novel electronic structure methods while expanding applications to atmospheric environmental chemistry, computational catalysis, and biomolecular kinetics. Dr Bao actively contributes to advancing theoretical chemistry through his development of first-principle reaction networks coupled with quantitatively reliable thermodynamics and chemical kinetics simulations. His ongoing research program promises to further transform how scientists understand and predict complex chemical processes critical to energy conversion technologies and environmental sustainability.
