Structure motif–centric learning framework for inorganic crystalline systems HR Banjade, S Hauri, S Zhang, F Ricci, W Gong, G Hautier, S Vucetic, ... Science advances 7 (17), eabf1754, 2021 | 23 | 2021 |
Graph-based deep learning frameworks for molecules and solid-state materials W Gong, Q Yan Computational Materials Science 195, 110332, 2021 | 15 | 2021 |
Valley-polarized interlayer excitons in 2D chalcogenide–halide perovskite–van der Waals heterostructures S Singh, W Gong, CE Stevens, J Hou, A Singh, H Zhang, ... ACS nano 17 (8), 7487-7497, 2023 | 9 | 2023 |
Lithiating magneto-ionics in a rechargeable battery Y Hu, W Gong, S Wei, S Khuje, Y Huang, Z Li, YC Li, F Yao, Q Yan, S Ren Proceedings of the National Academy of Sciences 119 (25), e2122866119, 2022 | 5 | 2022 |
Stable Intrinsic Long Range Antiferromagnetic Coupling in Dilutely V Doped Chalcopyrite W Gong, CH Leung, CK Sin, J Zhang, X Zhang, B Xi, J Zhu Chinese Physics Letters 37 (2), 027501, 2020 | 4 | 2020 |
Incorporation of density scaling constraint in density functional design via contrastive representation learning W Gong, T Sun, H Bai, P Chu, A Aryal, J Yu, H Ling, JP Perdew, Q Yan Digital Discovery 2 (5), 1404-1413, 2023 | 1 | 2023 |
Lithiation bridged molecular conducting magnets Z Wang, Y Huang, W Gong, Q Yan, S Ren Applied Materials Today 38, 102188, 2024 | | 2024 |
Magnet-in-ferroelectric crystals exhibiting photomultiferroicity Z Wang, Q Wang, W Gong, A Chen, A Islam, L Quan, TJ Woehl, Q Yan, ... Proceedings of the National Academy of Sciences 121 (17), e2322361121, 2024 | | 2024 |
Bridging deep learning force fields and electronic structures with a physics-informed approach Y Qi, W Gong, Q Yan arXiv preprint arXiv:2403.13675, 2024 | | 2024 |
Graph-Transformer Model for Direct Band Structure Prediction from Crystal Structures W Gong, T Sun, H Bai, JY Tsai, H Ling, Q Yan Bulletin of the American Physical Society, 2024 | | 2024 |
Crystal Hypergraph Convolutional Networks A Heilman, W Gong, Q Yan Bulletin of the American Physical Society, 2024 | | 2024 |
Dimensional Transformation of Molecular Magnetic Materials Y Huang, W Gong, G Zhang, Z Li, H Lin, Q Yan, S Ren ACS nano 16 (8), 13232-13240, 2022 | | 2022 |