 Dong-Qing Wei
Professor, Shanghai Jiao Tong University, Shanghai 200240, China
Email: dqwei@sjtu.edu.cn
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Research Interests:
Biophysics; Statistical physics and high pressure physics
Main Research Directions:
Quantum & statistical mechanical theory and computer simulation of molecular clusters, liquids, liquid crystals, solid/liquid interfaces, energetic materials and biologically interesting systems.
Prof. Wei is best known for his ground-breaking work on theory of complicated liquids. He along with Prof. Gren Patey have found that strongly interacting dipolar spheres can form a ferroelectric nematic phase. This was the first demonstration that dipolar forces alone can create an orientationally ordered liquid state. It is also the first time that the existence of a ferroelectric nematic phase has been established for a model liquid. This discovery solved a long standing problem in theoretical physics, and created a new direction in search for new liquid crystal materials (Phys. Rev. Lett. 68, 2043, 1992), cited about 180 times). In recent years, Prof. Wei developed tools of molecular simulation and applied them to study biological systems with relevance to computed aided drug design and structural biology.
Editorial Boards:
Editor-in-Chief of “Interdisciplinary Sciences”,
Managing Editor of “Journal of Atomic and Molecular Sciences”,
Member of editorial boards: “Molecular Simulation”, “Journal of Atomic and Molecular Physics” “Journal of Biomedical Science and Engineering”, “International Journal of Biomedical Engineering and Consumer Health Informatics”, and “The Open Drug Discovery Journal”
Selected publications:
- D. Q. Wei and G. N. Patey, “Orientational Order in Simple Dipolar Liquids: Computer Simulation of a Ferroelectric Nematic Phase”, Phys. Rev. Lett, 68, 2043 (1992).
- D. Q. Wei and D. R. Salahub, “Hydrated Proton Clusters and Solvent Effects on the Proton Transfer Barrier: a Density Functional Study”, J. Chem. Phys., 101, 7633 (1994).
- D. Q. Wei, J. F. Trochun, S. Suzanne and D. R. Salahub, “Solvation of Formic Acid and Proton Transfer in Hydrated Clusters”, J. Chem. Phys., 116, 6028 (2002).
- D. Q Wei, Y. J. Wang, L. Wang, Z. Z. Gong, Y. X. Guo, Y. S. Zhu, “Molecular Dynamics Simulations of Dipolar Fluids in the Orientationally Ordered Phases” Phys. Rev. E 75, 061702 (2007).
- D. Q. Wei and X J Wang(editors), Theory and Application of Computational Chemistry, AIP Conference Proceedings Vol. 1102, American Institute of Physics Press, 2009.
- C. C. Zhang, J. F. Wang, J. Y. Yan, K C. Chou, D. Q. Wei, “Molecular Modeling of CYP Proteins and Its Implication for Personal Drug Design”, in Automation in Genomics and Proteomics: An Engineering Case-Based Approach Eds. G. Alterovitz, R. Benson, and M. Ramoni, John Wiley & Sons,Inc., 2009.
- J. F. Wang, C. C. Zhang, J. Y. Yan, K. C. Chou, D. Q. Wei , “Structure of cytochrome P450s and personalized drug”, Current Medicinal Chem., 16, 232 (2009).
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