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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 -
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 -
An automated approach for developing neural network interatomic potentials with FLAME2021 Computational Materials Science article Materials Science Machine Learning in Materials Science Open access
Hossein Mirhosseini, Hossein Tahmasbi, Sai Ram Kuchana, S. Alireza Ghasemi, Thomas D. Kühne
12citations -
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, G. Sai Gautam, +3 more
1citations -
Benchmarking short-range machine learning potentials for atomistic simulations of metal/electrolyte interfaces2026 arXiv (Cornell University) preprint Materials Science Machine Learning in Materials Science Open access
Lucas B. T. de Kam, Jiaxin Zhu, Ankit Mathanker, Katharina Doblhoff-Dier, Nitish Govindarajan
1citations -
Machine Learning of Mechanisms in Combinatorial Metamaterials2021 International Congress on Artificial Materials for Novel Wave Phenomena (Metamaterials) conference-paper Materials Science Machine Learning in Materials Science
Ryan van Mastrigt, Corentin Coulais, Martin van Hecke, Marjolein Dijkstra
0citations -
Multi-objective optimization and quantum hybridization of equivariant deep learning interatomic potentials2026 Jyväskylä University Digital Archive (University of Jyväskylä) article Materials Science Machine Learning in Materials Science Open access
G. Laskaris, D. Morozov, D. Tarpanov, A. Seth, J. Procelewska, Gautam G. Sai, +3 more
0citations
19 results