Automatic Screen‐out of Ir(III) Complex Emitters by Combined Machine Learning and Computational Analysis (Advanced Optical Materials 18/2023)

In article number number 2301093, Zifeng Zhao, Qi Ou, and co-workers carry out an automatic high-throughput virtual screening for light-emitting Ir(III) complexes based on accurately benchmarked quantum chemistry methodology and an advanced molecular representation learning technique. Promising candidates that have not been previously reported are screened out, for both lighting and displaying purposes.