AI of Chemical Engineering The fast development of computational architecture and soft engineering for the Artificial Intelligent (AI) algorithm dramatically innovates the conventional chemical engineering areas. AI-based machine learning and deep-learning approaches enable solving of highly non-linear chemical problems and capturing the key descriptors of underlying mechanisms. Combined with big data generation using IoT and supercomputer-based first-principles calculations, the advance in AI-based techniques guide the future development in many research areas including materials, genome, hydrogen, solar energy system, big-data analysis for chemical reactions and toxic chemical control, smart manufacturing, and so on.​​​​​​​