zhuyn@smbu.edu.cn

Research Direction

Theoretical Calculation and Simulation of Organic/Inorganic Optoelectronic Materials

LOMS
Our research group focuses on the development of optoelectronic materials and the optimization of device performance. Our work primarily includes the structural design of organic/inorganic electroluminescent materials, the development of organic electrochromic materials, and the simulation and performance optimization of optoelectronic devices. Recently, LOMS has concentrated on high-throughput computation and screening of organic light-emitting diode (OLED) materials, as well as AI-assisted development of high-performance blue OLED materials. We have also established efficient collaborations with experimental researchers in organic optoelectronic materials synthesis and perovskite light-emitting devices. Our key research topics include:

Theoretical Study on the Structure and Properties of Organic Optoelectronic Materials

  • Molecular design and simulation of excited-state properties of OLED materials
  • Research on the electrochromic and electroluminescent properties of organic small molecules under electric fields
  • Morphology analysis and performance optimization of interfacial materials in flexible optoelectronic devices
  • AI-driven simulation of optoelectronic materials and development of intelligent computing platforms
  • Development of machine learning models for OLED applications
  • AI-driven design and property prediction of OLED materials
  • Construction of optoelectronic display material databases and intelligent computing platforms