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RESEARCH PAPER · ACS Applied Materials & Interfaces · 2020

Knowledge-Based Descriptor for the Compositional Dependence of the Phase Transition in BaTiO3-Based Ferroelectrics

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Knowledge-Based Descriptor for the Compositional Dependence of the Phase Transition in BaTiO3-Based FerroelectricsOriginalDisentangling the effect of doping chemistry on the energy storage properties of barium titanate ferroelectrics using data science tools12Optimizing Electrocaloric Effect in Barium Titanate-Based Room Temperature Ferroelectrics: Combining Landau Theory, Machine Learning and Synthesis34Machine learning combined with feature engineering to search for BaTiO3 based ceramics with large piezoelectric constant45Recent progress in the machine learning-assisted rational design of alloys69Machine Learning Assisted Prediction of Microstructures and Young’s Modulus of Biomedical Multi-Component β-Ti Alloys21An interpretable machine learning strategy for pursuing high piezoelectric coefficients in (K0.5Na0.5)NbO3-based ceramics52AI for dielectric capacitors16Compositional design of compounds with elements not in training data using supervised learning1Recent progress on machine learning with limited materials data: Using tools from data science and domain knowledge31Machine learning-assisted design of CaBi2Nb2O9-based ceramics with high piezoelectricity and thermal stability8A knowledge‐based materials descriptor for compositional dependence of phase transformation in NiTi shape memory alloys5AI4Materials: Transforming the landscape of materials science and enigneering25Machine learning-enabled design of ferroelectrics with multiple properties via a Landau model13Giant Capacitive Energy‐Storage in BaTiO 3 ‐Based Fine‐Grained Relaxors via Local Polarization Enhancement29Machine learning assisted composition design of high-entropy Pb-free relaxors with giant energy-storage52Generalizable descriptors for automatic titanium alloys design by learning from texts via large language model21Limitations of theory-informed machine learning algorithms for the prediction and exploration of molecular properties: Solvation free energy as a case study3Interpretable Machine Learning for the Design of (K, Na)NbO 3 -Based Piezoceramics Using Combinatorial and Knowledge-Embedded Descriptors3Data-driven approaches for functional ceramics3An interpretable machine learning framework for predicting Curie temperature of lead-based piezoelectric ceramics2Uncertainty-aware multi-source modeling for materials property prediction: A case study in ferroelectrics0Uncertainty-Aware Automated Machine-Learning Screening of BaTiO3‐Bi(Mg1/2Ti1/2)O3 Candidate Ceramics for X9R Temperature Stability0

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  1. Disentangling the effect of doping chemistry on the energy storage properties of barium titanate ferroelectrics using data science tools

    Journal of Materials Chemistry C · 2022-01-01

    Ruihao Yuan, Deqing Xue, Jinshan Li, Dezhen Xue, Turab Lookman

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  2. Optimizing Electrocaloric Effect in Barium Titanate-Based Room Temperature Ferroelectrics: Combining Landau Theory, Machine Learning and Synthesis

    Acta Materialia · 2022-01-01

    Ruihao Yuan, Zhen Liu, Yangyang Xu, Ruowei Yin, Jingjin He, Yang Bai, Yumei Zhou, Jinshan Li, Dezhen Xue, Turab Lookman

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  3. Machine learning combined with feature engineering to search for BaTiO3 based ceramics with large piezoelectric constant

    Journal of Alloys and Compounds · 2022-03-12

    Ruihao Yuan, Deqing Xue, Yangyang Xu, Dezhen Xue, Jinshan Li

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  4. Recent progress in the machine learning-assisted rational design of alloys

    International Journal of Minerals Metallurgy and Materials · 2022-04-01

    Huadong Fu, Hong‐Tao Zhang, Changsheng Wang, Wei Yong, Jianxin Xie

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  5. Machine Learning Assisted Prediction of Microstructures and Young’s Modulus of Biomedical Multi-Component β-Ti Alloys

    Metals · 2022-05-05

    Xingjun Liu, Qinghua Peng, Shaobin Pan, Jingtao Du, Shuiyuan Yang, Jiajia Han, Yong Lu, Jinxin Yu, Cuiping Wang

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  6. An interpretable machine learning strategy for pursuing high piezoelectric coefficients in (K0.5Na0.5)NbO3-based ceramics

    npj Computational Materials · 2023-12-22

    Bowen Ma, Xiao Wu, Chunlin Zhao, Cong Lin, Min Tian Gao, Baisheng Sa, Zhimei Sun

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  7. AI for dielectric capacitors

    Energy storage materials · 2024-07-01

    Run‐Lin Liu, Jian Wang, Zhong-Hui Shen, Yang Shen

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  8. Compositional design of compounds with elements not in training data using supervised learning

    Journal of Materiomics · 2024-07-14

    Jingjin He, Ruowei Yin, Changxin Wang, Chuanbao Liu, Dezhen Xue, Yanjing Su, Lijie J. Qiao, Turab Lookman, Yang Bai

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  9. Recent progress on machine learning with limited materials data: Using tools from data science and domain knowledge

    Journal of Materiomics · 2024-07-26

    Bangtan Zong, Jinshan Li, Tinghuan Yuan, Jun Wang, Ruihao Yuan

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  10. Machine learning-assisted design of CaBi2Nb2O9-based ceramics with high piezoelectricity and thermal stability

    Ceramics International · 2024-11-27

    Ailin Li, Chengwen Bin, Xu Hou, Luocheng Liao, Yunya Liu, Bo Wang, Jie Wang

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  11. A knowledge‐based materials descriptor for compositional dependence of phase transformation in NiTi shape memory alloys

    Materials Genome Engineering Advances · 2024-12-11

    Cheng Li, Qingkai Liang, Yumei Zhou, Dezhen Xue

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  12. AI4Materials: Transforming the landscape of materials science and enigneering

    Review of Materials Research · 2025-01-01

    Xue Feng Jiang, Dezhen Xue, Yang Bai, William Yi Wang, Jianjun Liu, Mingli Yang, Yanjing Su

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  13. Machine learning-enabled design of ferroelectrics with multiple properties via a Landau model

    Acta Materialia · 2025-01-25

    Ruihao Yuan, Bo Wang, Jinshan Li, Peng Sun, Zhen Liu, Xiangdong Ding, Dezhen Xue, Turab Lookman

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  14. Giant Capacitive Energy‐Storage in BaTiO 3 ‐Based Fine‐Grained Relaxors via Local Polarization Enhancement

    Advanced Materials · 2025-01-26

    Yige Chen, Zhentao Zhu, Li‐Feng Zhu, Juping Xu, Huajie Luo, Hao Li, Wen Yin, Laijun Liu, Ji Zhang, Hui Liu, Jun Chen

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  15. Machine learning assisted composition design of high-entropy Pb-free relaxors with giant energy-storage

    Nature Communications · 2025-02-01

    Xingcheng Wang, Ji Zhang, Xiaohan Ma, Huajie Luo, Laijun Liu, Hui Liu, Jun Chen

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  16. Generalizable descriptors for automatic titanium alloys design by learning from texts via large language model

    Acta Materialia · 2025-07-02

    Ping Wang, Yuan Jiang, Weijie Liao, Rong Wang, Minjie Lai, Hongchao Kou, Xiubing Liang, Jinshan Li, Turab Lookman, Ruihao Yuan

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  17. Limitations of theory-informed machine learning algorithms for the prediction and exploration of molecular properties: Solvation free energy as a case study

    APL Machine Learning · 2025-07-29

    Jeffrey G. Ethier, Andrew S. Paluch, Vikas Varshney

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  18. Interpretable Machine Learning for the Design of (K, Na)NbO 3 -Based Piezoceramics Using Combinatorial and Knowledge-Embedded Descriptors

    ACS Applied Materials & Interfaces · 2025-10-14

    Heng Hu, Bin Wang, Didi Zhang, Kang Yan, Tao Tan, Dawei Wu

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  19. Data-driven approaches for functional ceramics

    Materials Science and Engineering R Reports · 2026-04-01

    Jincheng Qin, Faqiang Zhang, Mingsheng Ma, Yongxiang Li, Zhifu Liu

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  20. An interpretable machine learning framework for predicting Curie temperature of lead-based piezoelectric ceramics

    Journal of Materiomics · 2026-04-25

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  21. Uncertainty-aware multi-source modeling for materials property prediction: A case study in ferroelectrics

    Physical Review Materials · 2026-07-29

    Bo Wang, Yuehui Xian, Yumei Zhou, Dezhen Xue, Yangyang Xu

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  22. Uncertainty-Aware Automated Machine-Learning Screening of BaTiO3‐Bi(Mg1/2Ti1/2)O3 Candidate Ceramics for X9R Temperature Stability

    Journal of Electronic Materials · 2026-09-21

    Qiuxue Guo, Zening Wang, Pinquan Qin, Chuanbin Wang, Guoqiang Luo, Shaowen Cao

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