Genetic algorithm-accelerated computational discovery of liquid crystal polymers with enhanced optical properties.

ABSTRACT: Liquid crystal polymers with exceptional optical properties are highly promising for next-generation virtual, augmented, and mixed reality (VR/AR/MR) technologies, serving as high-performance, compact, lightweight, and cost-effective optical components. However, the growing demands for optical transparency and high refractive index in advanced optical devices present a challenge for material discovery. In this study, we develop a novel approach that integrates first-principles calculations with genetic algorithms to accelerate the discovery of liquid crystal polymers with low visible absorption and high refractive index. By iterating within a predefined space of molecular building blocks, our approach rapidly identifies reactive mesogens that meet target specifications. Additionally, it pr

SUBMITTER: Zhou J 

PROVIDER: S-EPMC12590949 | biostudies-literature | 2025 Oct

REPOSITORIES: biostudies-literature