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RESEARCH PAPER · Computational Materials Science · 2021

Accelerated search for ABO3-type the electronic contribution of polycrystalline dielectric constants by machine learning

Xinyu Lin, Changjiao Li, Hua Hao, Guanghui Zhao, Hanxing Liu

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Accelerated search for ABO3-type the electronic contribution of polycrystalline dielectric constants by machine learningOriginalImproved physics-based structural descriptors of perovskite materials enable higher accuracy of machine learning32Accurate prediction of band gap of materials using stacking machine learning model86New Two-Level Ensemble Method and Its Application to Chemical Compounds Properties Prediction49Dielectric constant prediction of perovskite microwave dielectric ceramics via machine learning24BiCuSeO based thermoelectric materials: Innovations and challenges44An accelerated strategy to characterize mechanical properties of polymer composites using the ensemble learning approach28Machine learning enhanced prediction of permittivity of spinel microwave dielectric ceramics compared to traditional C-M calculation4Comparative analysis of machine learning models for predicting dielectric properties in MoS2 nanofiller-reinforced epoxy composites70Deep learning based on small sample dataset: prediction of dielectric properties of SrTiO 3 -type perovskite with doping modification8XGBoost Regression Analysis of Dielectric Properties of Epoxy Resin with Inorganic Hybrid Nanofillers21Exploring the Core-shell Structure of BaTiO3-based Dielectric Ceramics Using Machine Learning Models and Interpretability Analysis3AI for dielectric capacitors16Discovering ABO3-type perovskite with different dielectric constants via intelligent optimization algorithm6Machine learning assisted Q×f value prediction of ABO4-type microwave dielectric ceramics18Dielectric tensor prediction for inorganic materials using latent information from preferred potential12Comprehensive study of spinel nanoparticles using experimental, theoretical and machine learning methods25Multi-Properties prediction of perovskite materials using Machine learning and Meta-Heuristic feature selection9Deep learning enhanced prediction of microwave dielectric constant of spinel ceramics eliminating manual feature engineering4A Holistic Integration of Machine Learning for Selecting Optimum Ratio of Nanoparticles in Epoxy-Based Nanocomposite Insulators5Enhanced permittivity prediction in microwave dielectric ceramics and structure-property insights via CGCNN combined with GNNExplainer2Triggering the onset of thermoelectric performance in BiCuSeO oxychalcogenides: Activation from a low intrinsic carrier concentration via Cd doping0Data-driven approaches for functional ceramics3Insights into emerging trends and recent progress in spinel ferrites-based catalysts for electrocatalytic water splitting4Accelerating accurate multi-property prediction of perovskites via meta-heuristic algorithm tuned machine learning0Interpretable machine learning driven design of oxidation resistant Co-based superalloys with low density0Physics-Informed Descriptor Engineering and Explainable Machine Learning Reveal the Quantum Mechanical Origins of Electronic Dielectric Response in Oxide Materials0

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  1. Improved physics-based structural descriptors of perovskite materials enable higher accuracy of machine learning

    Computational Materials Science · 2021-07-14

    Changjiao Li, Hua Hao, Ben Xu, Zhonghui Shen, Enhao Zhou, Dongbing Jiang, Hanxing Liu

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  2. Accurate prediction of band gap of materials using stacking machine learning model

    Computational Materials Science · 2021-09-27

    Teng Wang, Kefei Zhang, Jesse Van Griensven Thé, Hesheng Yu

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  3. New Two-Level Ensemble Method and Its Application to Chemical Compounds Properties Prediction

    Lobachevskii Journal of Mathematics · 2023-01-01

    Oleg Valentinovich Sen'ko, A. A. Dokukin, N. N. Kiselyova, Victor A. Dudarev, Yu. O. Kuznetsova

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  4. Dielectric constant prediction of perovskite microwave dielectric ceramics via machine learning

    Materials Today Communications · 2023-03-01

    Yicong Ye, Ziqi Ni, Kaijia Hu, Yahao Li, Yongqian Peng, Xingyu Chen

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  5. BiCuSeO based thermoelectric materials: Innovations and challenges

    Materials Today Physics · 2023-05-02

    Wenxin Tang, Wanyu Qian, Shuanglin Jia, Ke Li, Zhifang Zhou, Jinle Lan, Yuan‐Hua Lin, Xiaoping Yang

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  6. An accelerated strategy to characterize mechanical properties of polymer composites using the ensemble learning approach

    Computational Materials Science · 2023-08-12

    Hamed Esmaeili, Reza R. Rizvi

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  7. Machine learning enhanced prediction of permittivity of spinel microwave dielectric ceramics compared to traditional C-M calculation

    Modelling and Simulation in Materials Science and Engineering · 2024-01-16

    Xiao-Bin Liu, Chang Su, Qiu-Xia Huang, Sheng-Hui Yang, Lei Zhang, Xiaolan Xie, Huanfu Zhou

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  8. Comparative analysis of machine learning models for predicting dielectric properties in MoS2 nanofiller-reinforced epoxy composites

    Ain Shams Engineering Journal · 2024-03-14

    Atul D. Watpade, Sanketsinh Thakor, Prince Jain, Prajna P. Mohapatra, Chandan R. Vaja, Anand Y. Joshi, Dimple V. Shah, Mohammad Tariqul Islam

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  9. Deep learning based on small sample dataset: prediction of dielectric properties of SrTiO 3 -type perovskite with doping modification

    Royal Society Open Science · 2024-05-01

    Quan Luo, Hua Hao, Hanxing Liu

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  10. XGBoost Regression Analysis of Dielectric Properties of Epoxy Resin with Inorganic Hybrid Nanofillers

    Journal of Macromolecular Science Part B · 2024-05-07

    Piyushkumar Panchal, Bansi Shingala, Sanketsinh Thakor, Prince Jain, Chandan R. Vaja, Anand Y. Joshi, Karan Shah, Vipinchandra A. Rana, Jaivik Pathak

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  11. Exploring the Core-shell Structure of BaTiO3-based Dielectric Ceramics Using Machine Learning Models and Interpretability Analysis

    Journal of Wuhan University of Technology-Mater Sci Ed · 2024-06-01

    Jiale Sun, Peifeng Xiong, Hua Hao, Hanxing Liu

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  12. AI for dielectric capacitors

    Energy storage materials · 2024-07-01

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

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  13. Discovering ABO3-type perovskite with different dielectric constants via intelligent optimization algorithm

    AIP Advances · 2024-07-01

    Taizhong Yao, Lanping Chen, Nan Hu, Lei Xu, Sichao Sun

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  14. Machine learning assisted Q×f value prediction of ABO4-type microwave dielectric ceramics

    Journal of Materiomics · 2024-08-09

    Liangyu Mo, Jincheng Qin, Mingsheng Ma, Zhifu Liu

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  15. Dielectric tensor prediction for inorganic materials using latent information from preferred potential

    npj Computational Materials · 2024-11-21

    Zetian Mao, Wenwen Li, Jethro Tan

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  16. Comprehensive study of spinel nanoparticles using experimental, theoretical and machine learning methods

    Physica B Condensed Matter · 2024-12-10

    Poonam Sharma, Mitesh B. Solanki, Sanketsinh Thakor, Prince Jain, Ajay Zapadiya, Dimple V. Shah, Chandan R. Vaja

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  17. Multi-Properties prediction of perovskite materials using Machine learning and Meta-Heuristic feature selection

    Solar Energy · 2024-12-12

    Frendy Jaya Kusuma, Eri Widianto, Wahyono Wahyono, Iman Santoso, Sholihun Sholihun, Moh. Adhib Ulil Absor, Setyawan P. Sakti, Kuwat Trıyana

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  18. Deep learning enhanced prediction of microwave dielectric constant of spinel ceramics eliminating manual feature engineering

    Materials Today Physics · 2025-04-08

    Xiaobin Liu, Qiuxia Huang, Chang Su, Ning Shao, Lei Zhang, Yapeng Tian, Huanfu Zhou

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  19. A Holistic Integration of Machine Learning for Selecting Optimum Ratio of Nanoparticles in Epoxy-Based Nanocomposite Insulators

    Processes · 2025-07-22

    Abubakar Siddique, Muhammad Usama Shahid, Laraib Akram, Waseem Aslam, Kholod D. Alsufiani

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  20. Enhanced permittivity prediction in microwave dielectric ceramics and structure-property insights via CGCNN combined with GNNExplainer

    Materials Today Chemistry · 2025-10-01

    Xiao-Bin Liu, Ning Shao, Qiuxia Huang, Lei Zhang, Ziheng Gao, Yapeng Tian, Haiquan Wang, Huanfu Zhou

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  21. Triggering the onset of thermoelectric performance in BiCuSeO oxychalcogenides: Activation from a low intrinsic carrier concentration via Cd doping

    The Journal of Chemical Physics · 2025-12-02

    Gwan Hyeong Lee, Ali Kürşad Arıcıoğlu, Tae-Wan Kim, Ahmet Çağlar, Gyujin Chang, Chanwoo Ju, Jaewoo Park, Myoung Seok Kwon, Osman Yeler, Sang‐il Kim

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  22. 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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  23. Insights into emerging trends and recent progress in spinel ferrites-based catalysts for electrocatalytic water splitting

    Journal of Electroanalytical Chemistry · 2026-04-08

    Shobhona Borkotoky, Disha Konwar, Rohan Bezboruah, Riya Mudoi, Lakshi Saikia

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  24. Accelerating accurate multi-property prediction of perovskites via meta-heuristic algorithm tuned machine learning

    Artificial Intelligence Chemistry · 2026-05-14

    Aodi Li, Fei Bian, Jinghan Guo, Chenbo Gong, Yihao Guo, Chengyao Zuo, Jialuo Chen, Xinru Hu, Zhaopeng Xu

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  25. Interpretable machine learning driven design of oxidation resistant Co-based superalloys with low density

    Corrosion Communications · 2026-06-01

    Songlin Li, Chenghao Pei, Zhiwei Cheng, Qingshuang Ma, Jing Bai, Huijun Li, Qiuzhi Gao

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  26. Physics-Informed Descriptor Engineering and Explainable Machine Learning Reveal the Quantum Mechanical Origins of Electronic Dielectric Response in Oxide Materials

    Chemistry · 2026-09-12

    Mega Novita, Alok Singh Chauhan, Nancy Agarwal, Deepak Gupta, Wardatul Jannah, Imadudin Harjanto

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