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RESEARCH PAPER · Wiley Interdisciplinary Reviews Computational Molecular Science · 2026

Machine Learning Toolkits and Frameworks for Materials Design

B. Moses Abraham, Yury G. Gogotsi

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

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Machine Learning Toolkits and Frameworks for Materials DesignOriginalSynergistic enhancement of hydrogen evolution on MoS 2 by sulfur vacancy and transition metal doping: a DFT and machine learning study5Review of Progress of AI in Biomimetics: From Biological Patterns to Closed-Loop Discovery2Fluorine-termination control of interfacial adhesion and sliding in M′2C/M′′2C MXene heterojunctions: High-throughput DFT and interpretable machine learning0Machine Learning for Zinc‐Based Energy Storage Devices: From Data‐Driven Design to Mechanistic Insights0Construction and experimental validation of a machine learning-based design system for high-Mn steels aimed at strength-ductility synergy optimization0Autoencoder Derived Datasets for Multi-Layer Perceptron Development of Methanol Reforming Catalysts0Microfluidics for particle production in drug delivery: From physical basics to perspective applications0

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  1. Synergistic enhancement of hydrogen evolution on MoS 2 by sulfur vacancy and transition metal doping: a DFT and machine learning study

    Physical Chemistry Chemical Physics · 2026-01-01

    Xin Fan, Xiaocheng Zhou, Yafei Li

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  2. Review of Progress of AI in Biomimetics: From Biological Patterns to Closed-Loop Discovery

    Biomimetics · 2026-05-03

    Zhong Hu, Haiping Hong, Tim Lin

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  3. Fluorine-termination control of interfacial adhesion and sliding in M′2C/M′′2C MXene heterojunctions: High-throughput DFT and interpretable machine learning

    Tribology International · 2026-06-24

    Yuhang Zhou, Wenhao Yan, Tao Zhang, Jiawei Li, Xiangxi Fan, Yihang Hu, Hong Cui, Weizhi Tian, Rong Feng, Lingxia Jin, Hongkuan Yuan

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  4. Machine Learning for Zinc‐Based Energy Storage Devices: From Data‐Driven Design to Mechanistic Insights

    Advanced Energy Materials · 2026-07-04

    Yi Yang, Min Ru, Jian Song, Qian Zhang, Zhenlu Liu, Qiliang Wei, Xinyu Zhang, Chunmei Zhang, Yuehua Chen, Haoqi Yang, H B Wu, Shaohua Jiang, Shuijian He

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  5. Construction and experimental validation of a machine learning-based design system for high-Mn steels aimed at strength-ductility synergy optimization

    Materials & Design · 2026-07-23

    刘占廷, Chen Chen, Pujiu Liao, Hui Li, Boqian Ma, Zhinan Yang, Bo Lv, F X Zhang

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  6. Autoencoder Derived Datasets for Multi-Layer Perceptron Development of Methanol Reforming Catalysts

    Industrial & Engineering Chemistry Research · 2026-08-01

    Dingwei Guo, Huan Chen, Lixuan Zhang, Junqin Jiang, Yujia Liu

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  7. Microfluidics for particle production in drug delivery: From physical basics to perspective applications

    TrAC Trends in Analytical Chemistry · 2026-08-18

    Lilia Losco De Cusatis, Maria Sofia De Gregorio, Stefania Carbone, Raffaele Crispino, Daniele Tammaro, Concetta Di Natale

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