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

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

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. Focusing on six-layer tetragonal ordered alloys of rare-earth-fr...

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Bibliographic Details
Main Authors: Kohei Nakamura, Daigo Furuya, Yoshio Miura, Takahiro Yamazaki, Alexandre Lira Foggiatto, Yuma Iwasaki, Masato Kotsugi
Format: Article
Language:English
Published: Taylor & Francis Group 2025-12-01
Series:Science and Technology of Advanced Materials: Methods
Subjects:
Magnetocrystalline anisotropy
formation energy
bayesian optimization
multi-objective optimization
first-principles calculation
materials informatics
Online Access:https://www.tandfonline.com/doi/10.1080/27660400.2025.2485025
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https://www.tandfonline.com/doi/10.1080/27660400.2025.2485025

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