In this article, we will review and highlight some recent computational work on enantioselective adsorption and catalysis in zeolites and metal-organic frameworks. The design, development and understanding of chiral structures will help expand the utility of nanoporous materials into chiral technology. The highlighted works are examples of how molecular simulations can provide a fundamental understanding of chirality in nanoporous materials. This understanding is essential to help in the design and development of next-generation enantioselective separation devices and catalysts.
- metal-organic frameworks
- molecular simulation