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RESEARCH PAPER · Materials Today Chemistry · 2025

Artificial intelligence in materials science and chemistry: Past, present and future trajectories

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Artificial intelligence in materials science and chemistry: Past, present and future trajectoriesOriginalScientific Decision-Making with Materials AI — How Models Actually Influence Action: A Review Study1Data-driven and machine learning-assisted research on ferroelectric materials0Prompt Engineering Accelerates the Data‐Driven Discovery of Photocatalysts via an LLM‐Based Model Ensemble Strategy3Research Progress of Functional Materials in Drug Degradation, Adsorption and Integrated Diagnosis and Treatment0Artificial Intelligence in Metal Complexes Research: Advances in Synthesis, Characterization, and Applications1Deep Learning Potential-Based Molecular Dynamics Simulation of Polyethylene Pyrolysis2Chemical Knowledge as Compression: Why Chemistry Still Needs Chemists in the Age of AI0Predicting Reactivity and Enantioselectivity from Small Experimental Datasets: A Case Study in Asymmetric Magnesium Catalysis0Cognitive Materials Engineering for Bioelectricity and Bioelectronics: Research and Applications0

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  1. Scientific Decision-Making with Materials AI — How Models Actually Influence Action: A Review Study

    Journal of Artificial Intelligence for Materials Science · 2023-01-01

    Bruno Martins, Lucas Pereira

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  2. Data-driven and machine learning-assisted research on ferroelectric materials

    Acta Physica Sinica · 2026-01-01

    Changrui Wang, Jian Xin Zhou, Zhimei Sun

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  3. Prompt Engineering Accelerates the Data‐Driven Discovery of Photocatalysts via an LLM‐Based Model Ensemble Strategy

    Advanced Science · 2026-02-16

    Dianyuan Li, Xichen Sun, Shaohua Sun, Runzhou Wang, Miaomiao Zhang, Meng Xiao, Yue Wang, Yuezhou Zhang

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  4. Research Progress of Functional Materials in Drug Degradation, Adsorption and Integrated Diagnosis and Treatment

    Inorganics · 2026-03-21

    Yuxin Wang, Xiaoxue Tang, Siqi Huang, Weie Wang, Xi Cao, Yang Lv, Xiaoyi Chen

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  5. Artificial Intelligence in Metal Complexes Research: Advances in Synthesis, Characterization, and Applications

    Arabian Journal for Science and Engineering · 2026-04-25

    Shimaa Hosny, Qusi K. Alomoush, Leila Magdy Abbass, Mohammad A. Qaderi, Marwa Saeed, Lamiaa Z. Mohamed

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  6. Deep Learning Potential-Based Molecular Dynamics Simulation of Polyethylene Pyrolysis

    Energy & Fuels · 2026-06-19

    Y LI, Bowen Sha, Kexin Wu, Hongxia Guo

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  7. Chemical Knowledge as Compression: Why Chemistry Still Needs Chemists in the Age of AI

    Chemistry - A European Journal · 2026-07-12

    Oliver Steinbock, Wen Zhu, Wei Yuan Yang, Igor V. Alabugin

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  8. Predicting Reactivity and Enantioselectivity from Small Experimental Datasets: A Case Study in Asymmetric Magnesium Catalysis

    ACS Catalysis · 2026-09-14

    Paulina Baczewska, Damian Nowak, Joanna A. Jaszczewska‐Adamczak, Rafał Adam Bachorz, Marcin Hoffmann, Jacek Młynarski

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  9. Cognitive Materials Engineering for Bioelectricity and Bioelectronics: Research and Applications

    Bioelectricity · 2026-10-12

    Massimo Mariello, Mustafa B.A. Djamgoz

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