Autonomous multi-robot synthesis and optimization of metal halide perovskite nanocrystals

Metal halide perovskite (MHP) nanocrystals (NCs) offer extraordinary tunability in their optical properties, yet fully exploiting this potential is challenged by a vast and complex synthesis parameter space. Herein, we introduce Rainbow, a multi-robot self-driving laboratory that integrates automated NC synthesis, real-time characterization, and machine learning (ML)-driven decision-making to efficiently navigate MHP NCs’ mixed-variable high-dimensional landscape. Using parallelized, miniaturized batch reactors, robotic sample handling, and continuous spectroscopic feedback, Rainbow autonomously optimizes MHP NC optical performance—including photoluminescence quantum yield and emission linewidth at a targeted emission energy—through closed-loop experimentation. By systematically exploring varying ligand structures and precursor conditions, Rainbow elucidates critical structure–property relationships and identifies scalable Pareto-optimal formulations for targeted spectral outputs. Rainbow provides a versatile blueprint for accelerated, data-driven discovery and retrosynthesis of high-performance metal halide perovskite nanocrystals, facilitating the on-demand realization of next-generation photonic materials and technologies.