| Quantitatively determining surface–adsorbate properties from vibrational spectroscopy with interpretable machine learning X Wang, S Jiang, W Hu, S Ye, T Wang, F Wu, L Yang, X Li, G Zhang, ... Journal of the American Chemical Society 144 (35), 16069-16076, 2022 | 55 | 2022 |
| Machine-learning adsorption on binary alloy surfaces for catalyst screening T Wang, J Li, W Shu, S Hu, R Ouyang, W Li Chinese Journal of Chemical Physics 33 (6), 703-711, 2020 | 13 | 2020 |
| Large-scale thermochemistry calculations for combustion models KK Yalamanchi, Y Li, T Wang, M Monge-Palacios, SM Sarathy Applications in Energy and Combustion Science 12, 100084, 2022 | 10 | 2022 |
| Computational thermochemistry of oxygenated polycyclic aromatic hydrocarbons and relevant radicals T Wang, KK Yalamanchi, X Bai, S Liu, Y Li, B Qu, G Kukkadapu, ... Combustion and Flame 247, 112484, 2023 | 9 | 2023 |
| Structure Sensitivity of Metal Catalysts Revealed by Interpretable Machine Learning and First-Principles Calculations W Shu, J Li, JX Liu, C Zhu, T Wang, L Feng, R Ouyang, WX Li Journal of the American Chemical Society 146 (12), 8737-8745, 2024 | 7 | 2024 |
| Accurate thermochemistry prediction of extensive Polycyclic aromatic hydrocarbons (PAHs) and relevant radicals Y Li, T Wang, KK Yalamanchi, G Kukkadapu, SM Sarathy Combustion and Flame 242, 112159, 2022 | 6 | 2022 |
| Nature of metal-support interaction for metal catalysts on oxide supports T Wang, J Hu, R Ouyang, Y Wang, Y Huang, S Hu, WX Li Science 386 (6724), 915-920, 2024 | 5 | 2024 |
| Oxidative desulfurization of fuel oil and molecular characterization of the sulfone compound distribution in the different extractants J Fan, HA Khan, T Wang, J Ruiz-Martinez, S Saxena, AH Emwas, ... Separation and Purification Technology 327, 124902, 2023 | 4 | 2023 |
| Scholarchemqa: Unveiling the power of language models in chemical research question answering X Chen, T Wang, T Guo, K Guo, J Zhou, H Li, M Zhuge, J Schmidhuber, ... arXiv preprint arXiv:2407.16931, 2024 | 2 | 2024 |
| Nature of Metal-Support Interaction Discovered by Interpretable Machine Learning T Wang, R Ouyang, J Hu, Y Wang, W Shu, X Chai, S Hu, WX Li | 1 | 2024 |
| Rethinking Scientific Summarization Evaluation: Grounding Explainable Metrics on Facet-aware Benchmark X Chen, T Wang, Q Zhu, T Guo, S Gao, Z Lu, X Gao, X Zhang arXiv preprint arXiv:2402.14359, 2024 | 1 | 2024 |
| A PAH growth mechanism for nitrogen-containing aromatics in ammonia-doped hydrocarbon flames Q Wang, T Wang, SM Sarathy Proceedings of the Combustion Institute 40 (1-4), 105624, 2024 | 1 | 2024 |
| Unveiling the power of language models in chemical research question answering X Chen, T Wang, T Guo, K Guo, J Zhou, H Li, Z Song, X Gao, X Zhang Communications Chemistry 8 (1), 4, 2025 | | 2025 |
| Probing the Chemistry of Sulfurous Pollutants: Accurate Thermochemistry Determination of Extensive Sulfur-Containing Species B Qu, H Chen, X Fu, FNO Bruce, X Bai, S Liu, K Yalamanchi, T Wang, ... ACS omega 9 (14), 16581-16591, 2024 | | 2024 |
| AI-based descriptor for predicting alloy formation energy LI Jiancong, W Tairan, SHU Wu, HU Sulei, O Runhai, LI Weixue JUSTC 50 (6), 844-851, 2020 | | 2020 |
