Magers is a computational chemist specializing in electronic structure theory, applying ab initio and density functional methods to study small and medium-sized molecular systems. His expertise includes predicting geometries, spectral properties, and energetics; exploring mechanisms; calculating binding affinities; and mapping potential energy surfaces. He also evaluates non-covalent interactions such as van der Waals forces and hydrogen bonding to advance understanding of molecular behavior. In chemistry education, Magers integrates computational methods into undergraduate curricula, enhancing student learning. He leads an active undergraduate research group that investigates problems at the interface of chemistry and physics.