Scalable deeper graph neural networks for high-performance materials property prediction SS Omee, SY Louis, N Fu, L Wei, S Dey, R Dong, Q Li, J Hu Patterns 3 (5), 2022 | 85 | 2022 |
MaterialsAtlas. org: a materials informatics web app platform for materials discovery and survey of state-of-the-art J Hu, S Stefanov, Y Song, SS Omee, SY Louis, EMD Siriwardane, Y Zhao, ... npj Computational Materials 8 (1), 65, 2022 | 40 | 2022 |
Material transformers: deep learning language models for generative materials design N Fu, L Wei, Y Song, Q Li, R Xin, SS Omee, R Dong, EMD Siriwardane, ... Machine Learning: Science and Technology 4 (1), 015001, 2023 | 38 | 2023 |
TCSP: a template-based crystal structure prediction algorithm for materials discovery L Wei, N Fu, EMD Siriwardane, W Yang, SS Omee, R Dong, R Xin, J Hu Inorganic Chemistry 61 (22), 8431-8439, 2022 | 34 | 2022 |
Accurate prediction of voltage of battery electrode materials using attention-based graph neural networks SY Louis, EMD Siriwardane, RP Joshi, SS Omee, N Kumar, J Hu ACS Applied Materials & Interfaces 14 (23), 26587-26594, 2022 | 31 | 2022 |
Materials property prediction with uncertainty quantification: A benchmark study D Varivoda, R Dong, SS Omee, J Hu Applied Physics Reviews 10 (2), 2023 | 22 | 2023 |
DeepXRD, a Deep Learning Model for Predicting XRD spectrum from Material Composition R Dong, Y Zhao, Y Song, N Fu, SS Omee, S Dey, Q Li, L Wei, J Hu ACS Applied Materials & Interfaces 14 (35), 40102-40115, 2022 | 17 | 2022 |
Structure-based out-of-distribution (OOD) materials property prediction: a benchmark study SS Omee, N Fu, R Dong, M Hu, J Hu npj Computational Materials 10 (1), 144, 2024 | 13 | 2024 |
Towards quantitative evaluation of crystal structure prediction performance L Wei, Q Li, SS Omee, J Hu Computational Materials Science 235, 112802, 2024 | 11 | 2024 |
Crystal structure prediction using neural network potential and age-fitness pareto genetic algorithm SS Omee, L Wei, M Hu, J Hu Journal of Materials Informatics 4, 2024 | 10 | 2024 |
Global mapping of structures and properties of crystal materials Q Li, R Dong, N Fu, SS Omee, L Wei, J Hu Journal of Chemical Information and Modeling 63 (12), 3814-3826, 2023 | 6 | 2023 |
MD-HIT: Machine learning for material property prediction with dataset redundancy control Q Li, N Fu, SS Omee, J Hu npj Computational Materials 10 (1), 245, 2024 | 1 | 2024 |
Physical encoding improves OOD performance in deep learning materials property prediction N Fu, SS Omee, J Hu Computational Materials Science 248, 113603, 2025 | | 2025 |
CSPBench: a benchmark and critical evaluation of Crystal Structure Prediction L Wei, SS Omee, R Dong, N Fu, Y Song, E Siriwardane, M Xu, ... arXiv preprint arXiv:2407.00733, 2024 | | 2024 |
Evolutionary Machine Learning in Science and Engineering J Hu, Y Song, SS Omee, L Wei, R Dong, S Gianey Handbook of Evolutionary Machine Learning, 535-561, 2023 | | 2023 |