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Progress in nanoinformatics and informational materials science

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Abstract

Data-centric approaches have become increasingly popular in materials science, also known as informational materials science. Nanostructures often play essential roles in materials properties. Nanoinformatics is an important subset of informational materials science and a powerful tool for characterization and design of nanostructures. It allows discovery of meaningful and useful information and patterns from experimental and theoretical data and databases. This article reviews progress in nanoinformatics and informational materials science. Data-centric approaches for materials property description, construction of interatomic potentials, discovery of new inorganic compounds, efficient characterization of ionic transport and interfacial structures, hyperspectral image data analysis, and design of catalytic nanoparticles are outlined.

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Acknowledgments

This work was supported by a Grant-in-Aid for Scientific Research on Innovative Areas “Nano Informatics” from the Japan Society for the Promotion of Science and JST-PRESTO.

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Authors and Affiliations

  1. Department of Materials Science and Engineering, Kyoto University, Japan

    Atsuto Seko & Kazuaki Toyoura

  2. Institute of Materials and Systems for Sustainability, and Ultra-High Voltage Electron Microscopy Laboratory, Nagoya University, Japan

    Shunsuke Muto

  3. Institute of Industrial Science, The University of Tokyo, Japan

    Teruyasu Mizoguchi

  4. Department of Materials Design and Innovation, University at Buffalo, The State University of New York, USA

    Scott Broderick

Authors
  1. Atsuto Seko
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  2. Kazuaki Toyoura
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  3. Shunsuke Muto
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  4. Teruyasu Mizoguchi
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  5. Scott Broderick
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Corresponding author

Correspondence to Atsuto Seko.

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Seko, A., Toyoura, K., Muto, S. et al. Progress in nanoinformatics and informational materials science. MRS Bulletin 43, 690–695 (2018). https://doi.org/10.1557/mrs.2018.206

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