Leveraging LiveDesign for Organic Electronics Development

This case study presents the application of Schrödinger’s LiveDesign in the research and development of organic electronics, specifically focusing on OLED materials. The document outlines how LiveDesign serves as a cloud-native environment that integrates molecular modeling, machine learning, and informatics to enhance R&D processes. It describes the platform's capabilities for real-time collaboration, data sharing, and advanced simulations that predict optoelectronic properties of materials. The study details the use of high-throughput screening and machine learning workflows to identify suitable hole transport materials and TADF emitters, emphasizing the importance of energy level alignment in OLED device performance. Additionally, it highlights the platform's ability to visualize complex datasets and facilitate the design of multilayer device structures, addressing challenges related to carrier injection and charge mobility. Overall, LiveDesign is positioned as a comprehensive solution for accelerating the development of next-generation organic electronic devices.