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RESEARCH PAPER · Science and Technology of Advanced Materials Methods · 2022

Efficient autonomous material search method combining ab initio calculations, autoencoder, and multi-objective Bayesian optimization

Yuma Iwasaki, Jaekyun Hwang, Yuya Sakuraba, Masato Kotsugi, Yasuhiko Igarashi

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16 direct citing papers in this saved network. Explore the next layer with second-order citations.

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Efficient autonomous material search method combining ab initio calculations, autoencoder, and multi-objective Bayesian optimizationOriginalImproving efficiency of autonomous material search via transfer learning from nontarget properties4Role of multifidelity data in sequential active learning materials discovery campaigns: case study of electronic bandgap7Bayesian optimization of radical polymerization reactions in a flow synthesis system2Autonomous search for materials with high Curie temperature using ab initio calculations and machine learning2Autonomous search for half-metallic materials with B 2 structure5Bayesian optimization of radical polymerization reactions in a flow synthesis system7Analysis of the effect of the Fermi surface matching at Co–Fe and Cu interface on giant magnetoresistance effect using a combinatorial technique4Autonomous materials search using machine learning and ab initio calculations for L1 0 -FePt-based quaternary alloys2Efficient discovery of large magnetic anisotropy with thermodynamically stable materials via multi-objective Bayesian optimization1Bayesian Optimization with Gaussian Processes Assisted by Deep Learning for Material Designs12Autonomous Materials Search for Magnetic Materials1Er-driven magnetic tunability in FePt thin films investigated via high-throughput experiments and microstructure analysis for future HAMR media1A materials map integrating experimental and computational data via graph-based machine learning for enhanced materials discovery4Exploration of Stable Atomic Configurations in Graphene-like BCN Systems by Density Functional Theory and Bayesian Optimization1Machine Learning for Accelerating Energy Materials Discovery: Bridging Quantum Accuracy with Computational Efficiency44Vertical spintronic devices based on half-metallic Heusler alloys: progress and future outlook0

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16 direct citing papers saved.

  1. Improving efficiency of autonomous material search via transfer learning from nontarget properties

    Science and Technology of Advanced Materials Methods · 2023-09-27

    Jaekyun Hwang, Yuma Iwasaki

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  2. Role of multifidelity data in sequential active learning materials discovery campaigns: case study of electronic bandgap

    Machine Learning Science and Technology · 2023-12-01

    Ryan M. Jacobs, Philip E. Goins, Dane D. Morgan

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  3. Bayesian optimization of radical polymerization reactions in a flow synthesis system

    ChemRxiv · 2024-03-29

    Shogo Takasuka, Shô Itô, Shunto Oikawa, Yosuke Harashima, Tomoaki Takayama, Aniruddha Nag, Araki Wakiuchi, Tsuyoshi Ando, Tetsunori Sugawara, Miho Hatanaka, Tomoyuki Miyao, Takamitsu Matsubara, Yu‐ya Ohnishi, Hiroharu Ajiro, Mikiya Fujii

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  4. Autonomous search for materials with high Curie temperature using ab initio calculations and machine learning

    Science and Technology of Advanced Materials Methods · 2024-09-02

    Yuma Iwasaki

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  5. Autonomous search for half-metallic materials with B 2 structure

    Science and Technology of Advanced Materials Methods · 2024-09-12

    Yuma Iwasaki, Ryo Toyama, Takahiro Yamazaki, Yasuhiko Igarashi, Masato Kotsugi, Yuya Sakuraba

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  6. Bayesian optimization of radical polymerization reactions in a flow synthesis system

    Science and Technology of Advanced Materials Methods · 2024-11-13

    Shogo Takasuka, Shô Itô, Shunto Oikawa, Yosuke Harashima, Tomoaki Takayama, Aniruddha Nag, Araki Wakiuchi, Tsuyoshi Ando, Tetsunori Sugawara, Miho Hatanaka, Tomoyuki Miyao, Takamitsu Matsubara, Yu‐ya Ohnishi, Hiroharu Ajiro, Mikiya Fujii

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  7. Analysis of the effect of the Fermi surface matching at Co–Fe and Cu interface on giant magnetoresistance effect using a combinatorial technique

    AIP Advances · 2024-12-01

    Varun Kumar Kushwaha, Ryo Toyama, Yoshio Miura, Yuma Iwasaki, Yuya Sakuraba

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  8. Autonomous materials search using machine learning and ab initio calculations for L1 0 -FePt-based quaternary alloys

    Science and Technology of Advanced Materials Methods · 2025-03-07

    Yuma Iwasaki, D. Ogawa, Masato Kotsugi, Y. K. Takahashi

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

    Science and Technology of Advanced Materials Methods · 2025-04-04

    Kohei Nakamura, Daigo Furuya, Yoshio Miura, Takahiro Yamazaki, Alexandre Lira Foggiatto, Yuma Iwasaki, Masato Kotsugi

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  10. Bayesian Optimization with Gaussian Processes Assisted by Deep Learning for Material Designs

    The Journal of Physical Chemistry Letters · 2025-05-19

    Shin Kiyohara, Yu Kumagai

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  11. Autonomous Materials Search for Magnetic Materials

    Vacuum and Surface Science · 2025-06-09

    Yuma Iwasaki

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  12. Er-driven magnetic tunability in FePt thin films investigated via high-throughput experiments and microstructure analysis for future HAMR media

    Applied Physics Letters · 2025-06-23

    D. Ogawa, Yuma Iwasaki, Jun Uzuhashi, Yuta Sasaki, Masato Kotsugi, Y. K. Takahashi

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  13. A materials map integrating experimental and computational data via graph-based machine learning for enhanced materials discovery

    APL Machine Learning · 2025-07-28

    Yusuke Hashimoto, Xue Jia, Hao Li, Takaaki Tomai

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  14. Exploration of Stable Atomic Configurations in Graphene-like BCN Systems by Density Functional Theory and Bayesian Optimization

    Crystal Growth & Design · 2025-08-12

    Taichi Hara, Akira Kusaba, Yoshihiro Kangawa, Tetsuji Kuboyama, David R. Bowler, Karol Kawka, Paweł Kempisty

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  15. Machine Learning for Accelerating Energy Materials Discovery: Bridging Quantum Accuracy with Computational Efficiency

    Advanced Energy Materials · 2025-10-25

    Kwang S. Kim

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  16. Vertical spintronic devices based on half-metallic Heusler alloys: progress and future outlook

    Journal of Physics D Applied Physics · 2026-05-27

    Yuya Sakuraba, Shinya Yamada, Hirofumi Suto, Tomoya M. Nakatani, Kohei Hamaya

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