Publications
20. Integrating Machine Learning and Large Language Models to Advance Exploration of Electrochemical Reaction
Z. Zheng, F. Florit, B. Jin, H. Wu, S.‐C. Li, K. Nandiwale, C. Salazar, J. Mustakis, W. Green, K. F. Jensen
Angew. Chem. Int. Ed. 2025, 64 (6), e202418074
19. Large Language Models for Reticular Chemistry
Z. Zheng, N. Rampal, T. Inizan, C. Borgs, J. T. Chayes, O. M. Yaghi
Nat. Rev. Mater. 2025, 10
18. A Geometric Foundation Model for Crystalline Material Discovery
S. Liu, D. Yan, Z. Li, Z. Zheng, O. M. Yaghi, C. Borgs, H. Guo, A. Anandkumar, J. T Chayes
Arxiv Preprint
17. High temperature water adsorption isotherms and ambient temperature water diffusion rates on water harvesting metal-organic frameworks
J. Hastings, T. Lassitter, Z. Zheng, S. Chheda, J. I. Siepmann, L. Gagliardi, O. M. Yaghi, T. G. Glover
J. Phys. Chem. C 2024, 128 (27), 11328–11339
16. Image and Data Mining in Reticular Chemistry Powered by GPT-4V
Z. Zheng, Z. He, O. Khattab, N. Rampal, M. A. Zaharia, C. Borgs, J. T. Chayes, O. M. Yaghi
Digital Discovery 2024, 3(3), 491-501
15. Harvesting Water from Air with High-Capacity, Stable Furan-Based Metal–Organic Frameworks
A. H. Alawadhi, S. Chheda, G. D. Stroscio, Z. Rong, D. Kurandina, H. L. Nguyen, N. Rampal, Z. Zheng, L. Gagliardi, Omar M. Yaghi
J. Am. Chem. Soc. 2024, 146(3), 2160–2166
14. Crystalline Polyphenylene Covalent Organic Frameworks
X. Han, Z. Zhou, K. Wang, Z. Zheng, S. E. Neumann, H. Zhang, T. Ma, O. M. Yaghi
J. Am. Chem. Soc. 2024, 146(1), 89–94
13. Symmetry-Informed Geometric Representation for Molecules, Proteins, and Crystalline Materials
S. Liu, W. Du, Y. Li, Z. Li, Z. Zheng, C. Duan, Z. Ma, O. M. Yaghi, A. Anandkumar, C. Borgs, J. T. Chayes, H. Guo, J. Tang
NeurIPS, 2024, 36
12. Shaping the Water Harvesting Behavior of Metal-Organic Frameworks Aided by Fine-Tuned GPT Models
Z. Zheng, A. H. Alawadhi, S. Chheda, S. E. Neumann, N. Rampal, S. Liu, H. L. Nguyen, Y.-H. Lin, Z. Rong, J. I. Siepmann, L. Gagliardi, A. Anandkumar, C. Borgs, J. T. Chayes, O. M. Yaghi
J. Am. Chem. Soc. 2023, 145 (51), 28284–28295
11. Structural Chemistry of Zeolitic Imidazolate Frameworks
Z. Zheng, Z. Rong, H. L Nguyen, O. M. Yaghi
Inorg. Chem. 2023, 62 (51), 20861–20873
10. ChatGPT Research Group for Optimizing the Crystallinity of MOFs and COFs
Z. Zheng, O. Zhang, H. L Nguyen, N. Rampal, A. H. Alawadhi, Z. Rong, T. Head-Gordon, C. Borgs, J. T Chayes, O. M. Yaghi
ACS Cent. Sci. 2023, 9 (11), 2161–2170
9. Harvesting Water in the Classroom
S. E. Neumann, K. Neumann, Z. Zheng, N. Hanikel, J. Tsao, O. M. Yaghi
J. Chem. Educ. 2023, 100 (11), 4482–4487
8. A GPT-4 Reticular Chemist for Guiding MOF Discovery
Z. Zheng, Z. Rong, N. Rampal, C. Borgs, J. T. Chayes, O. M. Yaghi
Angew. Chem. Int. Ed. 2023, 62, e2023119
7. ChatGPT Chemistry Assistant for Text Mining and the Prediction of MOF Synthesis
Z. Zheng, O. Zhang, C. Borgs, J. T. Chayes, O. M. Yaghi
J. Am. Chem. Soc. 2023, 145 (32), 18048–18062
6. MOF Water Harvester Produces Water from Death Valley Desert Air in Ambient Sunlight
W. Song, Z. Zheng, A. H. Alawadhi, O. M. Yaghi
Nat. Water 2023, 1, 626-634
5. Metal-Organic Frameworks with Rod Yttrium Secondary Building Units
Z. Zheng, Z. Rong, O. I. Chen, O. M. Yaghi
Isr. J. Chem. 2023, 63, e202300017
4. Green Synthesis and Scale-Up of MOFs for Water Harvesting from Air
Z. Zheng, A. H. Alawadhi, O. M. Yaghi
Mol. Front. J. 2023, 7, 1–20
3. MOF Linker Extension Strategy for Enhanced Atmospheric Water Harvesting
N. Hanikel, D. Kurandina, S. Chheda, Z. Zheng, Z. Rong, S. E. Neumann, J. Sauer, J. I. Siepmann, L. Gagliardi, O. M. Yaghi
ACS Cent. Sci. 2023, 9 (3), 551–557
2. High-Yield, Green and Scalable Methods for Producing MOF-303 for Water Harvesting from Desert Air
Z. Zheng, H. L. Nguyen, N. Hanikel, K. K. Li, Z. Zhou, T. Ma, O. M. Yaghi
Nat. Protoc. 2023, 18, 136–156
1. Broadly Tunable Atmospheric Water Harvesting in Multivariate Metal–Organic Frameworks
Z. Zheng, N. Hanikel, H. Lyu, O. M. Yaghi
J. Am. Chem. Soc. 2022, 144 (49), 22669-22675
Book Chapter
Reticular Chemistry and New Materials
O. M. Yaghi, Z. Zheng (Edited By: K. Wüthrich, Feringa B., L Rongy, A De Wit)
Chemistry Challenges of the 21st Century – Proceedings of the 100th Anniversary of the 26th International Solvay Conference on Chemistry
pp 91–96, ISBN 978-9811282317
Editorial
AI and Chemistry in Action: Transforming Crystallization for Scalable Water Harvesting Solutions
Z. Zheng
ACS Cent. Sci. 2024, 10 (12), 2173–2174
