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RESEARCH PAPER · Journal of Chemical Information and Modeling · 2022

Shry : Application of Canonical Augmentation to the Atomic Substitution Problem

Genki I. Prayogo, Andrea Tirelli, Keishu Utimula, Kenta Hongo, Ryo Maezono, Kousuke Nakano

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

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42 direct citing works

Shry : Application of Canonical Augmentation to the Atomic Substitution ProblemOriginalFeature Space of XRD Patterns Constructed by an Autoencoder13Machine learning-aided band gap prediction of semiconductors with low concentration doping10Toward Practical Applications0Classification, Identification, and Prediction of Crystal Structures Using Data Science0Evolution of Yb 3+ Speciation in Cl – /Br – - and Yb 3+ /Gd 3+ -Alloyed Quantum-Cutting Lead-Halide Perovskite Nanocrystals12Internal strain-driven bond manipulation and band engineering in Bi 2− x Sb x YO 4 Cl photocatalysts with triple fluorite layers7Multiemission of Ce3+ from a Single Crystallographic Site Induced by Disordering of Ions3Unveiling the NIR modulation performance enhancement of VO2 endowed by oxygen vacancy elimination13Unipolar spin diodes and unipolar spin switches by Spin-Transfer torque in doped graphether3Phosphorus Doping Coupled with Gradient Film Strategy to Achieve Thermochromic Performance Enhancement of VO25Efficient discovery of large magnetic anisotropy with thermodynamically stable materials via multi-objective Bayesian optimization1Optimization of Coulomb energies in gigantic configurational spaces of multi-element ionic crystals6Ground-State Configuration Screening Reveals Al-Site Doping Design Principles for Stability, Bonding, and Mechanical Anisotropy in MoAlB0Bridging theory and experiment in materials discovery: Machine-learning-assisted prediction of synthesizable structures3Configuration-guided Al-site doping design in MoAlB: Stability, bonding, and mechanical properties0A Practical Guide to First‐Principles Calculations for Pseudocapacitive Materials: From Electrochemical Experiments to Atomistic Understanding0

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16 direct citing papers saved.

  1. Feature Space of XRD Patterns Constructed by an Autoencoder

    Advanced Theory and Simulations · 2022-12-18

    Keishu Utimula, Masao Yano, Hiroyuki Kimoto, Kenta Hongo, Kousuke Nakano, Ryo Maezono

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  2. Machine learning-aided band gap prediction of semiconductors with low concentration doping

    Physical Chemistry Chemical Physics · 2023-01-01

    Yuqi Tang, Haiyuan Chen, Jianwei Wang, Xiaobin Niu

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  3. Toward Practical Applications

    Springer eBooks · 2023-01-01

    Ryo Maezono

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  4. Classification, Identification, and Prediction of Crystal Structures Using Data Science

    Nihon Kessho Gakkaishi · 2023-05-31

    Ryo Maezono, Genki I. Prayogo, Peng Song, Tom Ichibha, Keishu Utimula, Kenta Hongo, Kousuke Nakano

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  5. Evolution of Yb 3+ Speciation in Cl – /Br – - and Yb 3+ /Gd 3+ -Alloyed Quantum-Cutting Lead-Halide Perovskite Nanocrystals

    Chemistry of Materials · 2023-09-20

    Joo Yeon D. Roh, David E. Sommer, Tyler J. Milstein, Scott T. Dunham, Daniel R. Gamelin

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  6. Internal strain-driven bond manipulation and band engineering in Bi 2− x Sb x YO 4 Cl photocatalysts with triple fluorite layers

    Chemical Science · 2024-01-01

    Artem Gabov, Daichi Kato, Hiroki Ubukata, Ryotaro Aso, Naoji Kakudou, Koji Fujita, Hajime Suzuki, Osamu Tomita, Akinori Saeki, Ryu Abe, Smagul Zh. Karazhanov, Hiroshi Kageyama

    Read original paper ↗ ·

  7. Multiemission of Ce3+ from a Single Crystallographic Site Induced by Disordering of Ions

    Inorganic Chemistry · 2024-01-04

    Takuya Yasunaga, Makoto Kobayashi, Kenji Oqmhula, Huan Qi, Tom Ichibha, Kenta Hongo, S. Yamamoto, Ryo Maezono, Masaya Mitsuishi, Minoru Osada, Hideki Kato, Masato Kakihana

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  8. Unveiling the NIR modulation performance enhancement of VO2 endowed by oxygen vacancy elimination

    Solar Energy Materials and Solar Cells · 2024-06-24

    Yibei Xue, Lei Miao, Peng Song, Takuya Hasegawa, Ayahisa Okawa, Ryo Maezono, Tohru Sekino, Shu Yin

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  9. Unipolar spin diodes and unipolar spin switches by Spin-Transfer torque in doped graphether

    Journal of Magnetism and Magnetic Materials · 2024-07-22

    Xiao Liu, Guorong Yu, Keqian He, Yuxiang Xiao, Sicong Zhu

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  10. Phosphorus Doping Coupled with Gradient Film Strategy to Achieve Thermochromic Performance Enhancement of VO2

    ACS Applied Materials & Interfaces · 2025-03-14

    Yibei Xue, Peng Song, Lei Miao, Takuya Hasegawa, Ayahisa Okawa, Tomoyo Goto, Yeongjun Seo, Ryo Maezono, Tohru Sekino, Shu Yin

    Read original paper ↗ ·

  11. 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

    Read original paper ↗ ·

  12. Optimization of Coulomb energies in gigantic configurational spaces of multi-element ionic crystals

    npj Computational Materials · 2025-07-01

    Konstantin Köster, Tobias Binninger, Payam Kaghazchi

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  13. Ground-State Configuration Screening Reveals Al-Site Doping Design Principles for Stability, Bonding, and Mechanical Anisotropy in MoAlB

    SSRN Electronic Journal · 2026-01-01

    Ting Wang, Liang Sun, Jie Chen, Wenzhen Xu, Wenji Zhai, Yong Zhou, Jianhong Peng

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  14. Bridging theory and experiment in materials discovery: Machine-learning-assisted prediction of synthesizable structures

    Physical review. B./Physical review. B · 2026-01-12

    YU Xin, P. Liu, Zhuohang Xie, Wenhui Mi, Pengyue Gao, Hong Jian Zhao, Jian Lv, Yanchao Wang, Yanming Ma

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  15. Configuration-guided Al-site doping design in MoAlB: Stability, bonding, and mechanical properties

    Computational Materials Science · 2026-08-18

    Ting Wang, Liang Sun, J. Y. Chen, Wenzhen Xu, Wenyan Zhai, Yong Zhou, Jianhong Peng

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  16. A Practical Guide to First‐Principles Calculations for Pseudocapacitive Materials: From Electrochemical Experiments to Atomistic Understanding

    ChemElectroChem · 2026-09-29

    Kenji Oqmhula, Ryo Maezono, Kenta Hongo

    Read original paper ↗ ·
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