Theoretical Chemistry – ACMM – Department of Chemistry – Faculty of Sciences – Vrije Universiteit Amsterdam

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« Curriculum Vitae

Honors »

Ph.D.

Date: 2014.11~present
Institute: Department of Theoretical Chemistry, Vrije Universiteit Amsterdam
Supervisors: Prof. dr. F. M. Bickelhaupt and Prof. dr. C. Fonseca Guerra
• Tried to design new type of iron-based catalysts that mimic the behavior of palladium catalysts in cross-coupling reactions by employing the Activation Strain Model, based on relativistic density functional theory.
• Developed new PyFrag program used in activation strain analysis, which was included in ADF and could be used with other programs like PLAMS and QMFlows to tackle the construction and efficient execution of computational chemistry workflows and to facilitate the screen of new catalysts on a large scale.

M.Sc.

Date: 2011.6~2014.6
Institute: Department of physical chemistry, Lanzhou University
Supervisor: Prof. dr. W. Qiu
• Investigated the role of the hydrogen bond in the formation of the DNA polyhedron using the Gaussian98 suite of program, at B3LYP/aug-cc-pVTZ level.
• Depicted and analyzed the feature and mechanism of the self-assembly of the biological macromolecules like DNA polyhedron and the Virus HN97 using topology and knot theory.

Chemical Engineer

Date: 2008.7~2011.6
Institute: Institute of drug design, Jiangsu Hengrui Medicine Co. Ltd.
• Synthesis of important pharmaceutical raw materials like Tolvaptan, Adefovir, Dipivoxil.
• Explored and improved the production conditions of Gemcitabine at large factory scale.

B.Sc.

Date: 2008.7~2007.10
Institute: College of Chemistry and Chemical Engineer, Lanzhou University
Supervisor: Prof. dr. R. Li
• Demonstrated B3LYP-SVM method as an useful tool to quickly calculate the enthalpies of formation of small to medium sized molecules.
• Joined the program “The development of biodegradable film using potato starch” which tend to reduce the white pollution and raise the living standard of the farmers in the Chinese western region.

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