“…inorgchem.7b01758). 13,14 Computational work is also vital to the study of materials that exhibit exotic electronic phenomena such as Weyl semimetals or topological insulators, compounds of great recent interest that exhibit bulk insulator behavior but have highly conducting surface states. A review by Schoop et al describes the necessary features of the band structure that cause these phenomena and presents a guide for predicting and synthesizing new topological materials (https://pubs.acs.org/ doi/abs/10.1021/acs.chemmater.7b05133).…”