Our research focuses on developing and applying nanoporous materials for environmental remediation, with an emphasis on metal-organic frameworks (MOFs) and covalent organic frameworks (COFs) for wastewater treatment.
Building on this, the project uses high-throughput computational screening to identify materials capable of efficiently recovering nutrients from eutrophic waters. We have already filtered and validated promising candidates from the CoRE MOF database, and will further refine them using force-field optimization, DFT calculations, and Monte Carlo simulations to pinpoint the most selective materials.
In the process, the undergraduate trained on the MOF project became actively involved in this work, leading to a peer-reviewed publication. That study showed, using simulations, that specially designed COFs can selectively and efficiently capture radioactive uranium and plutonium from water, guiding safer nuclear waste cleanup and recycling.
Just a small correction to Project End Date: It is 12/31/2026 not 2025.