Predictions of photophysical properties of phosphorescent platinum(II) complexes based on ensemble machine learning approach

no code implementations • 8 Jan 2023 • Shuai Wang, ChiYung Yam, Shuguang Chen, Lihong Hu, Liping Li, Faan-Fung Hung, Jiaqi Fan, Chi-Ming Che, Guanhua Chen

Here, we develop a general protocol for accurate predictions of emission wavelength, radiative decay rate constant, and PL quantum yield for phosphorescent Pt(II) emitters based on the combination of first-principles quantum mechanical method, machine learning (ML) and experimental calibration.

Ensemble Learning