4.8 Review

Machine learning for perovskite materials design and discovery

期刊

NPJ COMPUTATIONAL MATERIALS
卷 7, 期 1, 页码 -

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NATURE PORTFOLIO
DOI: 10.1038/s41524-021-00495-8

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资金

  1. National Key Research and Development Program of China [2016YFB0700504]
  2. Science and Technology Commission of Shanghai Municipality [18520723500]

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The review explores the applications of machine learning in assisting the discovery of perovskite materials, analyzing the development trends, showcasing the workflow, reviewing its applications in different types of perovskites, and suggesting future development prospects in the field.
The development of materials is one of the driving forces to accelerate modern scientific progress and technological innovation. Machine learning (ML) technology is rapidly developed in many fields and opening blueprints for the discovery and rational design of materials. In this review, we retrospected the latest applications of ML in assisting perovskites discovery. First, the development tendency of ML in perovskite materials publications in recent years was organized and analyzed. Second, the workflow of ML in perovskites discovery was introduced. Then the applications of ML in various properties of inorganic perovskites, hybrid organic-inorganic perovskites and double perovskites were briefly reviewed. In the end, we put forward suggestions on the future development prospects of ML in the field of perovskite materials.

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