The perspective of Daniele and Leopold on the cover of ACS Central Science.
D. Ongari, L. Talirz, and B. Smit, Too Many Materials and Too Many Applications: An Experimental Problem Waiting for a Computational Solution ACS Cent. Sci.(2020) http://dx.doi.org/10.1021/acscentsci.0c00988
Evaluating the properties and performances of nanoporous materials from their crystal structure is a long-standing puzzle for the scientific community. The effort of putting together the pieces of computational modeling aims to offer a clearer and more complete picture on how to identify the best materials for a given application.
