Dr. Rishu Khurana is a postdoctoral researcher at the University of Chicago and Argonne National Laboratory. She received her Ph.D. degree in Chemistry at the Institute of Nano Science and Technology (INST), Mohali, India, in 2023. She has worked on the ab initio modeling of molecular magnets for her PhD. Following her doctoral work, she joined the University of Chicago and Argonne National Laboratory as a postdoctoral scholar. Her research lies in computational chemistry, focusing on transition metal catalysis, spectroscopy, and polymer upcycling. Her work combines DFT and multireference methods to study redox-active ligands, spin-state dynamics, and catalytic mechanisms. She also models X-ray absorption spectra to connect theory with experiment and guide catalyst design for sustainable transformations.