Structure search for solids
BO with ab initio energy sampling can help to identify complex crystal structures, such as perovskites.
Structural disorder by octahedral tilting in inorganic halide perovskites: New insight with Bayesian optimization
Protective Coating Interfaces for Perovskite Solar Cell Materials: A First-Principles Study
A. Fangnon et al., ACS Appl. Mater. Interfaces 14, 10, 12758 (2022)