Abstract: S As a revolutionary breakthrough in the field of materials science, material genetic engineering (MGE) has brought about profound changes in the model through its application in the field of new energy, especially in the R&D of battery materials. Based on the idea of MGE, we have built an intelligent design platform for battery materials that integrates computing power, data, and methods, and has achieved efficient and precise research and development of battery materials. On this platform, we use cloud computing and big data technologies, combined with multi-scale simulation and artificial intelligence algorithms, to effectively solve the problems of large computing volume and low data processing efficiency. In terms of computing power, we have established high-performance computing computing platform based on a hybrid architecture, with a peak computing power of more than 1PFlops, providing strong support for complex calculations. In terms of data, we take the two major libraries of inorganic crystals and organic molecules as the core, and expand to multiple professional databases such as electrolyte molecules, electrolyte formulas, positive electrode materials, etc., to form a comprehensive material data system.In terms of methodology, the platform integrates cutting-edge computing methods such as Monte Carlo simulation/molecular dynamics (MC/MD) and CALPHAD, and provides solutions to key scientific problems such as cathode material synthesis and SEI film growth. Through the design platform, we have expanded the application of material genetic engineering to the R&D of multiple battery systems such as high-voltage lithium batteries, all-solidstate batteries, and perovskite photovoltaics, achieving efficient mining of battery materials and promoting innovation in new battery systems. These achievements have effectively improved the overall performance of batteries, accelerated the transformation process from laboratory to commercial production, provided solid technical support for the realization of sustainable energy solutions, and made important contributions to the global energy transformation.
Yu Ze, senior engineer of Contemporary Amperex Technology Co., Ltd. (CATL), head of the material gene and AI application team, and high-level talent introduced by Fujian Province. Graduated from the Institute of Physics, Chinese Academy of Sciences in 2023, PhD in Condensed Matter Physics, participated in the construction of Atomly, a domestic inorganic crystal material computational database. In July 2023, he joined the 21C Innovation Laboratory of CATL as a senior engineer and head of the material gene and AI application team. He has been engaged in the construction of material gene databases and material gene digitalization platforms for a long time, and promoted the application and implementation of high-throughput screening, artificial intelligence and other technologies in battery and other material systems. He has published more than 10 academic papers in high-level journals such as Phys. Rev. Lett., Phys. Rev. B, and J. Mater. Chem. A, and has 7 open or authorized cooperative invention patents.