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The Laboratory of Optoelectronic Materials Simulation (LOMS) is a computational/theoretical laboratory based on the intersection of materials science, quantum chemistry and artificial intelligence, focusing on mechanistic studies of electronic structure and excited state properties in the field of optoelectronic materials, and with the help of machine learning models and artificial intelligence methods, aiming to achieve the development of outperformed organic optoelectronic materials and their applications in the field of intelligent displays. Most recently, we have been working on the discovery of potential new molecules and materials through quantum chemistry computation and database technologies such as the OLEDLibrary platform