Artificial intelligence-enabled chiral functional materials design
摘要
Chiral functional materials hold immense promise in photonics, enantioselective synthesis, quantum technologies, and biomedicine due to their intrinsic spatial asymmetry. However, the traditional methods to design, synthesize, and assemble chiral functional material architectures are severely limited by the vast chemical space and complex structure-property relationships. This review focuses on the transformative impact of artificial intelligence (AI) in chiral functional materials discovery and optimization. We critically highlight the recent AI-driven breakthroughs in various chiral materials design and detail successful applications, emphasizing the core strengths in accelerating virtual screening and uncovering intricate structure-property relationships. An overview of AI-enabled scientific research about chiral functional materials will significantly accelerate the rational design and discovery of high-performance materials, fostering cross-disciplinary innovation.