This National Science Foundation project grant of $321,000 supports theoretical and computational research at The University of Akron from July 2022 to June 2025 aimed at advancing the fundamental understanding of catenated and polycatenated polymer architectures. Funded through the Mathematical and Physical Sciences program (CFDA 47.049), the principal investigator will employ molecular simulation techniques to investigate the material properties and behaviors of catenated polymers in solution and at interfaces. Specific projects will model the translocation of catenated polymers through narrow pores, tension distribution in catenated polymer brushes, and develop machine learning-guided mesoscale models for catenanes. In addition to advancing the multiscale modeling of complex supramolecular assemblies, the award involves graduate and undergraduate students in polymer science research and engages local high school students in STEM education efforts.