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Potential Application of Machine-Learning-Based Quantum Chemical Methods in Environmental Chemistry2022 Environmental Science & Technology article Materials Science Machine Learning in Materials Science Open access
Deming Xia, Jingwen Chen, Zhiqiang Fu, Tong Xu, Zhongyu Wang, Wenjia Liu, +2 more
61citations -
A first-principles and machine learning combined method to investigate the interfacial friction between corrugated graphene2021 Modelling and Simulation in Materials Science and Engineering article Materials Science Machine Learning in Materials Science
Zugang Liu, Xinpeng Zhao, Heyuan Wang, Yuan Ma, Lei Gao, Haiyou Huang, +3 more
9citations -
Application of Machine Learning in Nanotoxicology: A Critical Review and Perspective2024 Environmental Science & Technology article Materials Science Machine Learning in Materials Science Open access
Yunchi Zhou, Ying Wang, Willie J.G.M. Peijnenburg, Martina G. Vijver, Surendra Balraadjsing, Zhaomin Dong, +9 more
32citations -
Computing formation enthalpies through an explainable machine learning method: the case of lanthanide orthophosphates solid solutions2024 Frontiers in Applied Mathematics and Statistics article Materials Science Machine Learning in Materials Science Open access
Edoardo Di Napoli, Xinzhe Wu, Thomas Bornhake, Piotr M. Kowalski
1citations -
Predicting Grain Boundary Segregation in Magnesium Alloys: An Atomistically Informed Machine Learning Approach2024 RWTH Publications (RWTH Aachen) article Materials Science Magnesium Alloys: Properties and Applications Open access
Zhuocheng Xie, Achraf Atila, Julien Guénolé, Sandra Korte‐Kerzel, Talal Al‐Samman, U. Kerzel
2citations -
Discovery of liquid crystalline polymers with high thermal conductivity using machine learning2025 npj Computational Materials article Materials Science Machine Learning in Materials Science Open access
Hayato Maeda, Stephen Wu, Rika Marui, Erina Yoshida, Kan Hatakeyama‐Sato, Yuta Nabae, +13 more
16citations -
Multi-objective optimization and quantum hybridization of equivariant deep learning interatomic potentials2026 Computational Materials Science article Materials Science Machine Learning in Materials Science Open access
G. Laskaris, D. Morozov, D. Tarpanov, A. Seth, J. Procelewska, Gopalakrishnan Sai Gautam, +3 more
1citations -
Recent advances in metasurface design and quantum optics applications with machine learning, physics-informed neural networks, and topology optimization methods2023 Light Science & Applications article Materials Science Metamaterials and Metasurfaces Applications Open access cited by 1 patent
Wenye Ji, Jin Chang, He‐Xiu Xu, J. R. Gao, Simon Gröblacher, Hendrik Paul Urbach, +1 more
270citations -
Eco-friendly production of AgNPs by ultrasound-intensified continuous method, and process evaluation via life cycle assessment and machine learning2025 Ultrasonics Sonochemistry article Materials Science Nanoparticles: synthesis and applications Open access
Juncheng Hu, Hengyi Zhu, Jiawei Zhang, K. Yang, Ning Xue, Justin Z. Lian, +3 more
4citations -
Predicting grain boundary segregation in magnesium alloys: An atomistically informed machine learning approach2025 Journal of Magnesium and Alloys article Materials Science Magnesium Alloys: Properties and Applications Open access
Zhuocheng Xie, Achraf Atila, Julien Guénolé, Sandra Korte‐Kerzel, Talal Al‐Samman, U. Kerzel
8citations