Similarity-driven discovery of zeolite materials for adsorption-based separations

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 CO(2) and other molecules at a fraction of the cost of brute-force characterization is demonstrated.