The marriage of artificial intelligence (AI) and Materials Genome Initiative (MGI) could profoundly change the landscape of modern materials research, leading to a new paradigm of data‐driven and AI‐driven materials discovery. In this perspective, we will give an overview on the central role of AI in the MGI research. In particular, an emerging research field of ab initio AI, which applies state‐of‐the‐art AI techniques to help solve bottleneck problems of ab initio computation, will be introduced. The development of ab initio AI will greatly accelerate high‐throughput computation, promote the construction of large materials database, and open new opportunities for future research of MGI.
人工智能（AI）与 "材料基因组计划"（MGI）的结合可能会深刻改变现代材料研究的面貌，带来数据驱动和人工智能驱动的材料发现新模式。在本视角中，我们将概述人工智能在 MGI 研究中的核心作用。特别是，我们将介绍一个新兴的研究领域--原子序数人工智能（ab initio AI），它应用最先进的人工智能技术来帮助解决原子序数计算的瓶颈问题。ab initio AI 的发展将大大加速高通量计算，促进大型材料数据库的建设，并为未来的 MGI 研究带来新的机遇。
{"title":"Ab initio artificial intelligence: Future research of Materials Genome Initiative","authors":"He Li, Yong Xu, Wenhui Duan","doi":"10.1002/mgea.16","DOIUrl":"https://doi.org/10.1002/mgea.16","url":null,"abstract":"The marriage of artificial intelligence (AI) and Materials Genome Initiative (MGI) could profoundly change the landscape of modern materials research, leading to a new paradigm of data‐driven and AI‐driven materials discovery. In this perspective, we will give an overview on the central role of AI in the MGI research. In particular, an emerging research field of ab initio AI, which applies state‐of‐the‐art AI techniques to help solve bottleneck problems of ab initio computation, will be introduced. The development of ab initio AI will greatly accelerate high‐throughput computation, promote the construction of large materials database, and open new opportunities for future research of MGI.","PeriodicalId":506967,"journal":{"name":"Materials Genome Engineering Advances","volume":"332 ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-11-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139246799","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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