Lisa FredinView profile
Associate Professor
Lisa Fredin is an Associate Professor in the Department of Chemistry at Lehigh University , with research spanning theoretical and computational chemistry , electronic structure , disorder in materials , photoredox catalysis , and nanochemistry . Her work bridges experiment and theory , focusing on density functional theory (DFT) and quantum chemistry to model catalytic materials , charge transport , and excited-state dynamics in systems ranging from transition-metal complexes to oxide nanoparticles . Education: Ph.D. in Chemistry (Northwestern University, 2012), B.S. in Chemistry, Biochemistry, Applied Mathematics (UT Austin, 2007) Previous Appointments: Postdoctoral Researcher at Lund University (2012–2014), Research Associate at NIST (2015–2018) Her research explores: Disorder in Inorganic and Organic Materials: Modeling defects , doping , and dynamic molecular vibrations to understand their impact on electronic properties and device performance . Photophysics of Light-Harvesting Complexes: Studying Fe(II) , Ru(II) , and Pd(II) complexes to optimize charge separation , excited-state lifetimes , and photocatalytic efficiency . Surface and Nanoscale Reactivity: Predicting reactivity of oxide nanoparticles and metal surfaces for CO disproportionation , water oxidation , and photoredox reactions . Her recent publications highlight TD-DFT applications, Boltzmann transport in organic materials, and defect engineering in TiO2 and SrTiO3 . She has received the Sloan Research Fellowship (2024) and ACS-PHYS Postdoctoral Award (2016) . Prof. Fredin mentors 6 graduate students and 15 undergraduates , teaches Physical Chemistry and Quantum Chemistry , and leads the Fredin Group , which develops computational tools for materials discovery.










