Bayesian Molecular Optimization for Accelerating Reverse Intersystem Crossing

Chem. Sci., 2025, Accepted Manuscript DOI: 10.1039/D5SC01903F, Edge Article Taehyun Won, Naoya Aizawa, Yu Harabuchi, Reo Kurihara, Mitsuharu Suzuki, Satoshi Maeda, Yong-Jin Pu, Ken-ichi Nakayama Spin conversion in molecular excited states is crucial for the development of next-generation optoelectronic devices. However, optimizing molecular structures for rapid spin conversion has relied on time-consuming experimental trial-and-error, which...