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International Conference on Theoretical and High Performance Computational Chemistry held in Guiyang

Date:2019-11-11 Author:

Sponsored by the Center of Scientific Computing Applications & Research (COSCAR) of the Chinese Academy of Sciences (CAS), Computer Network Information Center (CNIC) of CAS and Guizhou Education University, the International Conference on Theoretical and High Performance Computational Chemistry 2019 (ICT-HPCC19) was successfully held in Guiyang, China on November 2-5. Chaired by Prof. Chaoyuan Zhu, a well-known computational chemist from Taiwan Chiao-Tung University, the conference attracted more than 100 participants from different countries and regions such as the United States, Britain, Spain, India, Japan and China.

In the opening remarks, Prof. Chaoyuan Zhu expressed his warm welcome to all the participants. Prof. Xuebin Chi, Director of COSCAR and Deputy Director General of CNIC, delivered a speech and emphasized the interdisciplinary nature of computational chemistry. Wei Wei, President of Guizhou Education University, welcomed everyone and briefly introduced the host province of Guizhou. Prof. Zhong Jin, Deputy Director of COSCAR and Director of CNIC's High-Performance Computing Department, reviewed the history of the conference series.

In the three-day program, a total of 33 speakers shared their latest research results in 25 invitation lectures and 8 contributed lectures. The talks covered a broad range of topics from excited-state dynamics to nonadiabatic systems. Prof. Chaoyuan Zhu delivered a lecture entitled "Global switching trajectory surface hopping molecular dynamic theory and simulation" and reported a global non-adiabatic switching method that makes non-adiabatic molecular dynamics simulations as easy as molecular dynamics simulations. Prof. Jun Li from Tsinghua University gave an introduction to the theoretical results of the study on dynamic single-atom catalysts and provided prospects for the future development of dynamic catalysis.

Besides lectures, the program featured a poster presentation and competition session in which 27 contributors from 15 research institutes presented their works. Winners for two awards were voted by all participants and a jury panel composed of internationally renowned scientists. Ling Liu from Nanjing University won the Gold Award for Excellent Poster. Five presenters from South China Normal University, Fuzhou University, Huazhong Agricultural University and Xiamen University won silver and bronze awards. Bo Li from South China Normal University won the Best-Designed Poster Gold Award. Three presenters from Shaanxi Normal University, South China Normal University and Peking University won the Silver Award.

The first conference of the ICT-HPCC series took place in 2005. Since then, a total of thirteen meetings have been held and an efficient academic communication platform for Chinese and foreign computational chemistry scientists has been established, which proved effective in enhancing the international influence of COSCAR and CNIC and providing more opportunities for cooperation.

For details, please contact Ms. He Huang (hhuang@cnic.cn).