Similarity-driven discovery of zeolite materials for adsorption-based separations.
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.
Computational Research Division, Lawrence Berkeley National Laboratory, CA 94720, USA.
Richard L
RL
Martin
Thomas F
TF
Willems
Li-Chiang
LC
Lin
Jihan
J
Kim
Joseph A
JA
Swisher
Berend
B
Smit
Maciej
M
Haranczyk