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RESEARCH PAPER · Advanced Functional Materials · 2025

Symmetry‐Aware Equivariant Network for Discovering SHG‐Active Materials

Liudmila A. Klimova, Ivan S. Trofimov, Wenqi Jin, Qi Song, Aleksey V. Arsenin, Congwei Xie, Ivan A. Kruglov, Valentyn S. Volkov

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Symmetry‐Aware Equivariant Network for Discovering SHG‐Active MaterialsOriginalAccelerated Discovery of Fluorophosphates as Deep‐Ultraviolet Nonlinear Optical Materials in the Y–P–O–F System: Unveiling New Composition‐Structure‐Property Rules1An Integrated Machine Learning Workflow Based on Deep Generative Models for Discovery of Inorganic Nonlinear Optical Crystals0Prediction of deep-ultraviolet nonlinear optical material in borosilicate system: a case of RbSiB3O70Machine Learning for Second‐ and Third‐Harmonic Generation: Benchmarks, Challenges, and a Roadmap for Data‐Driven Photonic Materials0Accelerating the Discovery of Deep-Ultraviolet Nonlinear Optical Materials by Combining Machine Learning Interatomic Potentials with First-Principles Calculations: A Case of LiB2O3F0

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  1. Accelerated Discovery of Fluorophosphates as Deep‐Ultraviolet Nonlinear Optical Materials in the Y–P–O–F System: Unveiling New Composition‐Structure‐Property Rules

    Laser & Photonics Review · 2026-05-19

    Wenqi Jin, Congwei Xie, Ran An, Shilie Pan, Zhihua Yang

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  2. An Integrated Machine Learning Workflow Based on Deep Generative Models for Discovery of Inorganic Nonlinear Optical Crystals

    The Journal of Physical Chemistry Letters · 2026-05-27

    Zhaoxi Yu, Ruixi Wang, Ding Peng, Lin Fang Shen, Ling Chen, Wei‐Hai Fang

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  3. Prediction of deep-ultraviolet nonlinear optical material in borosilicate system: a case of RbSiB3O7

    Science China Materials · 2026-07-10

    Xiaoyu Wu, Olga Reutova, Linlin Liu, Wenqi Jin, Abudukadi Tudi, Jidong Zhang, Congwei Xie, Zhihua Yang

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  4. Machine Learning for Second‐ and Third‐Harmonic Generation: Benchmarks, Challenges, and a Roadmap for Data‐Driven Photonic Materials

    Advanced Theory and Simulations · 2026-08-01

    Masoumeh Shokati Mojdehi, Ramin Khezri

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  5. Accelerating the Discovery of Deep-Ultraviolet Nonlinear Optical Materials by Combining Machine Learning Interatomic Potentials with First-Principles Calculations: A Case of LiB2O3F

    Crystal Growth & Design · 2026-08-13

    Yifan Wang, Abudukadi Tudi, Wenqi Jin, Qi Song, Jiaxiang Li, YingXing Cheng, Congwei Xie, Zhihua Yang, Shilie Pan

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