Abstract
Artificial Intelligence (AI) is becoming an emerging technique in scientific research including novel materials discovery. In this work, we present a novel graph‐based AI workflow for discovering Organic Light‐Emitting Diode (OLED) materials. This workflow contains two graph‐based AI models: a molecular structure generative model and a molecular property predictive model. The target materials here are Red‐Prime (RP) materials, which are widely used to pair with the red light emitters in OLED devices. Based on the desired properties required by our OLED devices, we apply the AI‐based workflow to perform high‐ throughput screening for RP materials. Several novel and potential RP molecules are discovered preliminarily.
Sign-in/Register to access full text options 
Free) 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
