Deep Principle

Deep Principle is a Beijing-based AI for Science startup applying generative AI and first-principles computation to accelerate chemical and materials discovery. Founded in 2024 by an MIT-trained team led by CEO Jia Haojun and CTO Duan Chenru, the company has built a "Diffusion + LLM" technical stack around its ReactiveAI platform and Agent Mira intelligent agent, with published cover papers in *Nature Computational Science*, *Nature Machine Intelligence*, and the *Journal of the American Chemical Society* . The company closed a seed round led by Linear Capital in mid-2024, followed by a seed+ round from Hillhouse and a nine-figure RMB Pre-A in March 2025 with follow-on from Linear Capital and Hillhouse ; by late 2025 it announced a Series A exceeding 100 million RMB, co-led by Alibaba Entrepreneurs Fund and Ant Group, with commercial orders already surpassing 10 million RMB . Partners include XTALPi, Shanhai Innovation, and L'Oréal, and the firm is now building out an L4 high-throughput autonomous lab, AI Materials Factory, to close the loop from molecular design to experimental validation .