Perspectives on Development of Optoelectronic Materials in Artificial Intelligence Age

Abstract Optoelectronic devices, such as light‐emitting diodes, have been demonstrated as one of the most demanded forthcoming display and lighting technologies because of their low cost, low power consumption, high brightness, and high contrast. The improvement of device performance relies on advances in precisely designing novelty functional materials, including light‐emitting materials, hosts, hole/electron transport materials, and yet which is a time‐consuming, laborious and resource‐intensive task. Recently, machine learning (ML) has shown great prospects to accelerate material discovery and property enhancement. This review will summarize the workflow of ML in optoelectronic materials discovery, including data collection, feature engineering, model selection, model evaluation and model application. We highlight multiple recent applications of machine‐learned potentials in various optoelectronic functional materials, ranging from semiconductor quantum dots (QDs) or perovskite QDs, organic molecules to carbon‐based nanomaterials. We furthermore discuss the current challenges to fully realize the potential of ML‐assisted materials design for optoelectronics applications. It is anticipated that this review will provide critical insights to inspire new exciting discoveries on ML‐guided of high‐performance optoelectronic devices with a combined effort from different disciplines.