Welcome

The Computational Molecular Science Group (login) is comprised of interdisciplinary University of Kentucky (UK) faculty in the Department of Chemistry engaged in research that leverages computer simulation to tackle challenging problems in materials design and biological systems. The associated research groups have primary expertise in quantum chemistry including density functional theory, molecular dynamics simulations, and finite element modeling that fuel vibrant collaborations with experimentalists at UK and beyond. We are actively seeking aspiring graduate students with an interest in chemistry, physics, mathematics, and computer science to join our teams.