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

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Curriculum Vitae

For more details, including a cronological CV, see the following sections:

• « Cronological
• Honors »

Biosketch: Xiaobo Sun now is PhD student in theoretical organic chemistry at VU University Amsterdam, supervised by Prof. dr. F. M. Bickelhaupt and Prof. dr. C. Fonseca Guerra. He received his M.Sc. degree in physical chemistry with EProf. dr. W. Qiu in Lanzhou University

Honors and scholarships: Xiaobo Sun received The First grade excellent academic scholarship during Master time. When he worked as chemical engineer in Jiangsu Hengrui Medicine Co. Ltd, he was rewarded as The Outstanding employee.

Research and Publications: Xiaobo Sun 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. In the meantime, he 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.

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