Education
- PhD (Chem. Eng.), East China Univ. of Sci. & Tech., 1998
- BSc (Chem. Eng.), East China Univ. of Sci. & Tech., 1994
Research Interests
- Computational Materials Modeling (Porous Materials and Membranes)
- Molecular Simulation
- Molecular Thermodynamics
Selected Publications
S. A. Mohamed, R. Zheng, N. X. Zhu, D. Zhao, J. W. Jiang, “A Systematic Approach for Incorporating Structural Flexibility in High-Throughput Computational Screening of Metal-Organic Frameworks for Xylene Separation”, Journal of the American Chemical Society, 147, 12251 (2025).
Y. Yue, S. A. Mohamed, N. D. Loh, J. W. Jiang, “Toward a Generalizable Machine-Learned Potential for Metal-Organic Frameworks”, ACS Nano, 19, 933 (2025).
B. K. Zhang, J. W. Jiang, “How is CO2 Hydrogenated to Ethanol on Metal-Organic Framework HKUST-1? Microscopic Insights from Density-Functional Theory Calculations”, Journal of Materials Chemistry A, 13, 9064 (2025).
S. A. Mohamed, J. W. Jiang, “Nanoscopic Insights into the Collapse of Metal−Organic Frameworks during Solvent Evacuation: Molecular Simulation Investigation”, Nano Letters, 24, 13431 (2024).
X. Y. Wu, J. W. Jiang, “Precision-Engineered Metal-Organic Frameworks: Fine-Tuning Reverse Topological Structure Prediction and Design”, Chemical Science, 15, 16467 (2024).
A. S. Palakkal, Y. F. Yue, S. A. Mohamed, J. W. Jiang, “Exploiting Metal-Organic Frameworks for Vinylidene Fluoride Adsorption: From Force Field Development, Computational Screening to Machine Learning”, Environmental Science & Technology, 58, 16465 (2024).
M. Wang, J. W. Jiang, “Accelerating Discovery of Polyimides with Intrinsic Microporosity for Membrane-Based Gas Separation: Synergizing Physics-Informed Performance Metrics with Active Learning”, Advanced Functional Materials, 34, 2314683 (2024).