Our interest lies in the design of nanoporous framework materials for a variety of applications, including catalysis and gas separation. Using computational methods, we can compute the structures and properties of numerous hypothetical materials with desirable properties, and estimate how feasible they would be to synthesize. We explore fundamental links between chemistry and topology. A number of our predicted structures have subsequently been made. The materials include both zeolite types and metal-organic frameworks which are of interest for carbon dioxide and hydrogen storage.