Martin R.L., Willems, T.F., Lin, L.-C., Kim, J., Swisher, J.A., Smit, B. & Haranczyk, M. Similarity-driven Discovery of Porous Materials for Adsorption-based Separations, ChemPhysChem 13(16), 3595-3597, 2012.

Abstract

Crystalline porous materials can be exploited in many applications. Discovery of materials with optimum adsorption properties typically involves expensive brute-force characterization of large sets of materials. An alternative approach based on similarity searching that enables discovery of materials with optimum adsorption for CO2 and other molecules at a fraction of the cost of brute-force characterization is demonstrated.