| P vacancies-enriched 3D hierarchical reduced cobalt phosphide as a precursor template for defect engineering for efficient water oxidation X Zhou, H Gao, Y Wang, Z Liu, J Lin, Y Ding Journal of Materials Chemistry A 6 (30), 14939-14948, 2018 | 122 | 2018 |
| Facet effect of Co3O4 nanocrystals on visible-light driven water oxidation X Zhou, Z Liu, Y Wang, Y Ding Applied Catalysis B: Environmental 237, 74-84, 2018 | 95 | 2018 |
| Auto3d: Automatic generation of the low-energy 3d structures with ANI neural network potentials Z Liu, T Zubatiuk, A Roitberg, O Isayev Journal of Chemical Information and Modeling 62 (22), 5373-5382, 2022 | 28 | 2022 |
| Quaternary carbon center forming [3+ 2] cyclization reaction by adjusting the substituents of substrates XC Yang, JY Liu, Z Liu, XQ Hu, PF Xu The Journal of Organic Chemistry 84 (21), 13871-13880, 2019 | 16 | 2019 |
| The challenge of balancing model sensitivity and robustness in predicting yields: a benchmarking study of amide coupling reactions Z Liu, YS Moroz, O Isayev Chemical Science 14 (39), 10835-10846, 2023 | 5 | 2023 |
| Bottom-Up design: a modular golden gate assembly platform of yeast plasmids for simultaneous secretion and surface display of distinct FAP fusion proteins C Szent-Gyorgyi, LA Perkins, BF Schmidt, Z Liu, MP Bruchez, ... ACS Synthetic Biology 11 (11), 3681-3698, 2022 | 4 | 2022 |
| Learning Over Molecular Conformer Ensembles: Datasets and Benchmarks Y Zhu, J Hwang, K Adams, Z Liu, B Nan, B Stenfors, Y Du, J Chauhan, ... The Twelfth International Conference on Learning Representations, 2023 | 2 | 2023 |
| Uncertainty-Aware Yield Prediction with Multimodal Molecular Features J Chen, K Guo, Z Liu, O Isayev, X Zhang Proceedings of the AAAI Conference on Artificial Intelligence 38 (8), 8274-8282, 2024 | | 2024 |
Olexandr IsayevAssociate Professor, Carnegie Mellon University在 olexandrisayev.com 的电子邮件经过验证
