Data-driven Inorganic Materials Group

Building big data solutions for innovation of inorganic materials

2023.04.01 Update

Nature science is built on physical and chemicals principles concluded from numerous experimental data. Materials informatics (MI) aims to decrease the period and cost of materials development by discovering regulations and patterns from materials data by AI technologies, taking the advantages of huge data capacity and powerful data processing ability of modern computer systems. Our research is to design and explore novel inorganic materials using MI methods by discovering and optimizing dominant factors of material structure, property and processing, based on data of material constitution, structure, property and processing collected from literature, experiment and computation.

Specialized field and Research target

1)Construction of a literature database for battery materials and data-driven study based on it



2)Computational Studies of inorganic compounds


With first-principles calculations and various theoretical methods, we study physical properties of various inorganic compounds such as low-dimensional system or transition metal compounds. Our ultimate goal is to find novel functional materials.


3)Data-driven research for development of novel functional inorganic materials


Materials informatics, which is application of data science to materials science, is attracting attention as a new approach in materials science. Our research is to design and explore novel functional inorganic materials by a data-driven approach that combines data science, experiments, and theoretical calculations.


4) High performance inorganic thermal insulation coating with interfaces designed by machine learning



Inquiry about this page

Data-driven Inorganic Materials Group
1-2-1 Sengen, Tsukuba, Ibaraki 305-0047, JAPAN
tel:029-859-2258
E-Mail: XU.Yibin=nims.go.jp(Please change "=" to "@")