研究方向:
复杂系统模拟研究/Multi-scale Simulations for Complex Chemical and Biochemical Systems:
1. Biological and Biomimetic Reactions生物与仿生催化反应
3. Sustainable Chemistry 可持续化学
4. Photochemistry and Photobiology 光化学与光生物
5. Method Development of Approximate and Efficient Simulations, as well as Application of New Methods 新模拟方法的发展及应用
南方科技大学化学系钟龙华课题组欢迎各高校优秀应届本科毕业生通过推免方式攻读物理化学(计算化学)方向的硕士生研究生,硕士生每年补贴高达5万人民币。
申请条件:
1、高等院校获得推荐免试资格的优秀应届本科毕业生。
2、身体健康状况符合国家和招生单位规定的体检要求。
3、具有化学或物理专业学士学位,良好的化学基础,对前沿计算化学研究工作有兴趣。
4、有积极上进心,认真踏实、耐心仔细,有团队合作精神和严格的科学精神。
导师简介:
钟龙华博士(博导,研究员/副教授),分别在2000和2006年获得香港科技大学一级荣誉学士和博士学位,师从吴云东院士,研究金属催化反应机理。2006年到京都大学福井謙一記念研究中心諸熊奎治(Morokuma Keiji)教授研究组,使用和发展多尺度模拟方法研究复杂体系。在国外期刊上已发表59篇 SCI篇论文【包括1篇Chem. Rev. 1篇Acc. Chem. Res. 15篇J. Am. Chem. Soc. ,1篇Wiley跨学科综述,3篇Angew. Chem. Int. Ed.,2篇Nat. Commun, 5篇Chem. Sci.,3篇ACS Catal和1篇JPCL】和3篇Wiley书籍章节论文被ISI引用~1900余次(他引~1800,H-index: 24)。
欢迎有志于从事复杂系统模拟研究、追求学术人才加入。
有意者请发CV (pdf)和代表论文送到 oscarchung@sustc.edu.cn(联系人:钟龙华博士)
Selected Publications:
1. Chung, L. W.; Wu, Y.-D.;* Trost, B. M.;* Ball, Z. T. “A Theoretical Study on the Mechanism, Regiochemistry, and Stereochemistry of Hydrosilylation Catalyzed by Cationic Ruthenium Complexes” J. Am. Chem. Soc. 2003, 125, 11578.
2. Chung, L. W.; Li, X.; Sugimoto, H.; Shiro, Y.; Morokuma, K.* “Density Functional Theory Study on a Missing Piece in Understanding of Heme Chemistry: The Reaction Mechanism for Indoleamine 2,3-Dioxygenase and Tryptophan 2,3-Dioxygenase” J. Am. Chem. Soc. 2008, 130, 12299.
3. Chung, L. W.; Hayashi, S.; Lundberg, M.; Nakatsu, T.; Kato, H.; Morokuma, K.* “Mechanism of Efficient Firefly Bioluminescence via Adiabatic Transition State and Seam of Sloped Conical Intersection” J. Am. Chem. Soc. (Commun.) 2008, 130, 12880.
4. Chung, L. W.; Li, X.; Sugimoto, H.; Shiro, Y.; Morokuma, K.* “ONIOM Study on a Missing Piece in Our Understanding of Heme Chemistry: Bacterial Tryptophan 2,3-Dioxygenase with Dual Oxidants” J. Am. Chem. Soc. 2010, 132, 11993.
5. Li, X.; Chung, L. W.;* Morokuma,* K. “Photodynamics of All-trans Retinal Protonated Schiff Base in Bacteriorhodopsin and Methanol Solution” J. Chem. Theory Comput. (Lett.) 2011, 7, 2694.
6. Chung, L. W.;* Li, X.; Hirao, H.; Morokuma, K.* “Comparative Reactivity of Ferric-Superoxo and Ferryl-Oxo Species in Heme and Non-Heme Complexes” J. Am. Chem. Soc. (Commun.) 2011, 133, 20076.
7. Chung, L. W.; Hirao, H.; Li, X.; Morokuma, K.* “The ONIOM Method: Its Foundation and Applications to Metalloenzymes and Photobiology”, Wiley Interdisciplinary Reviews: Comput. Mol. Sci. 2012, 2, 327.
8. Chung, L. W.; Sameera, W. M. C.; Ramozzi,R.; Page, A. J.; Hatanaka, M.; Petrova, G. P.; Harris, T. V.; Li, X.; Ke, Z.; Liu, F.; Li, H.-B.; Ding, L. Morokuma, K.*; “The ONOIM Method and its Applications”, Chem. Rev. 2015, 115, 5678. (invited for a special issue: “Calculations on Large Systems"
9. Xu, L.; Chung, L. W.;* Wu, Y.-D. “Mechanism of Ni-NHC Catalyzed Hydrogenolysis of Aryl Ethers: The Roles of the Excess Base", ACS Catal. 201 6, 6, 483. (Highlighted by X-MOL)
10. Zhang, X.;* Chung, L. W.;* Wu, Y.-D.* “New Mechanistic Insights on the Selectivity of Transition Metal-catalyzed Organic Reactions: the Role of Computational Chemistry", Acc. Chem. Res.. 2016, 49, 1302.
11. Zhang. X.; Chung, L. W.* “Alternative Mechanistic Strategy for Enzyme Catalysis in a Ni-dependent Lactate Racemase (LarA): Intermediate Destabilization by the Cofactor", Chem. Eur. J. 2016, 23, 3623. (selected as "Inside Cover" .
12. Lan, J.; Liao, T.; Zhang, T.; Chung, L. W.* “A Reaction Mechanism of Cu(I)-Mediated Reductive CO2 Coupling for the Selective Formation of Oxalate: Cooperative CO2 Reduction to Give Mixed-valence Cu2(CO2•–) and Nucleophilic-like Attack”Inorg. Chem. 2017, 56, 6809. (Highlighted by X-MOL)
13. Gao, W.; Lv, H.;*, Zhang, T.; Yang, Y.; Chung, L. W.;* Wu, Y.-D.; Zhang, X.* “Nickel-Catalyzed Asymmetric Hydrogenation of ß-Acylamino Nitroolefins: An Efficient Approach to Chiral Amines” Chem. Sci. 2017, 8, 6419.
14. Li, X.; Liao, T.; Chung, L. W.* “Computational Prediction of Excited-State Carbon Tunnelling in the Two Steps of Triplet Zimmerman Di-pi-Methane Rearrangement” J. Am. Chem. Soc. (Commun.) 2017, 139, 16438. |