| 1 | AlphaMat: a material informatics hub connecting data, features, models and applications显示文摘The development of modern civil industry,energy and information technology is inseparable from the rapid explorations of new materials.However,only a small fraction of materials being experimentally/computationally studied in a vast chemical space.Artificial intelligence(AI)is promising to address this gap,but faces many challenges,such as data scarcity and inaccurate material descriptors.Here,we develop an AI platform,AlphaMat,that can complete data preprocessing and downstream AI models.With high efficiency and accuracy,AlphaMat exhibits strong powers to model typical 12 material attributes(formation energy,band gap,ionic conductivity,magnetism,bulk modulus,etc.).AlphaMat’s capabilities are further demonstrated to discover thousands of new materials for use in specific domains.AlphaMat does not require users to have strong programming experience,and its effective use will facilitate the development of materials informatics,which is of great significance for the implementation of AI for Science(AI4S). | Zhilong Wang An Chen Kehao Tao Junfei Cai Yanqiang Han Jing Gao Simin Ye Shiwei Wang Imran Ali Jinjin Li | 2023 | npj Computational Materials2023，，1： | 0 |
您所在的机构暂未开通此部分的功能，请联系管理员