Sponsored by the Computer Network Information Center (CNIC) of CAS, the International Conference on Theoretical and High Performance Computational Chemistry 2021 (ICT-HPCC21) was successfully held online on December 20^th to 22^nd. Chaired by Prof. Mark Hoffmann, the Vice President and Board of Directors of International Society for Theoretical Chemical Physics, Professor of University of North Dakota, the conference attracted more than 100 participants from different countries and regions including the United States, Austria, and China.

In the opening ceremony hosted by Zhong Jin, the Professor of Computer Network Information Center, CAS, Prof. Hoffmann expressed his warm welcome to all the participants. Prof. Gaogang Xie, the Professor and Executive Deputy Director of Computer Network Information Center, CAS also delivered a speech and emphasized the interdisciplinary nature of computational chemistry. At last, Yingjin Ma, a Doctor of the Department of HPC Technology and Application Development, CNIC, CAS reviewed the history of the conference series before the conference began.

In the two-and-a-half-day program, a total of 21 speakers shared their latest research results. The talks covered a broad range of topics from electronic correlation to Machine-Learning and quantum computing. Prof. Francesco Evangelista from Emory university delivered a talk entitled “Quantum Algorithms for Quantum Chemistry” reporting the recent advances in the quantum algorithm and applications using the NISQ (Noisy Intermediate-Scale Quantum) devices. Prof. Wenjian Liu from Shandong University gave an introduction on the latest advances of SDS family of methods, reporting a flexible and high-accuracy way in describing the properties for strongly correlated systems.

The first conference of the ICT-HPCC series took place in 2005. Since then, a total of fourteen meetings have been held and an efficient academic communication platform for Chinese and foreign computational chemistry scientists has been established. It is a good proof of the rise of the international influence of CNIC, more opportunities for cooperation are expected.

For details, please contact Li jing（jli@cnic.cn）