Article Efficient discovery of large magnetic anisotropy with thermodynamically stable materials via multi-objective Bayesian optimization

Kohei Nakamura ; Daigo Furuya ; Yoshio Miura SAMURAI ORCID (National Institute for Materials Science) ; Takahiro Yamazaki ; Alexandre Lira Foggiatto ; Yuma Iwasaki SAMURAI ORCID (National Institute for Materials Science) ; Masato Kotsugi

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Kohei Nakamura, Daigo Furuya, Yoshio Miura, Takahiro Yamazaki, Alexandre Lira Foggiatto, Yuma Iwasaki, Masato Kotsugi. Efficient discovery of large magnetic anisotropy with thermodynamically stable materials via multi-objective Bayesian optimization. Science and Technology of Advanced Materials: Methods. 2025, 5 (1), 2485025. https://doi.org/10.1080/27660400.2025.2485025

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(abstract)

This study presents an efficient magnetic material exploring method with large magnetocrystalline anisotropy (MCA) and thermodynamic stability by combining multi-objective Bayesian optimization (MBO) with first principles calculations.

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Keyword: materials informatics

Date published: 2025-12-31

Publisher: Informa UK Limited

Journal:

  • Science and Technology of Advanced Materials: Methods (ISSN: 27660400) vol. 5 issue. 1 2485025

Funding:

  • Japan Science and Technology Agency JPMJCR21O1
  • Japan Society for the Promotion of Science 21H04656

Manuscript type: Publisher's version (Version of record)

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First published URL: https://doi.org/10.1080/27660400.2025.2485025

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Updated at: 2025-12-12 08:30:29 +0900

Published on MDR: 2025-12-12 08:24:06 +0900

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