Welcome to ICT-HPCC22
July 12-13 | Beijing | China

ICT-HPCC is an annual international conference supported by the Virtual Laboratory for Computational Chemistry (VLCC), Chinese Academy of Sciences. It covers topics from fundamental mechanisms and simulations in theoretical and computational chemistry to the development of related high performance computing applications. The 15th edition of this conference is expected to bring together scientists and researchers from overseas as well as domestic group to enhance information exchange and promote collaboration in the field.
This year’s conference is chaired by Prof. Stefan Knecht from University of Mainz. We welcome discussions on topics in theoretical and computational chemistry in general, while special attention will be given to the following topics:
- Multiscale simulations of complex systems, large-scale molecular dynamics simulations, machine learning and quantum computational methods for molecular simulations
- Structural properties, interactions and dynamics of chemical, biological and material systems, methods for strong correlated electrons
Call for Submissions
- Call for PRESENTATIONS and POSTERS are open.
- Abstracts describing the proposed presentation or poster should be submitted through this site.
- Full-text submissions are welcome but not mandatory. Accepted full-text article will be published in a special issue of the Communications in Computational Chemistry (CiCC). Selected ones will be recommended to the Chemical Physics Letter.
- To submit an abstract after registration, please login and edit your profile page.
- A template for the abstract can be found HERE.
- Slots for oral presentations are limited. Submissions will be reviewed and acceptance notification will be sent out via email.
- The duration of each oral presentation is 20 min including questions and discussions.
- Size of all posters should be 90 cm * 120 cm (35.4 inch * 47.2 inch).
- The deadline for abstract submission has been extended to July. 9.

Venue
Computer Network Information Center of CAS
中国科学院计算机网络信息中心
Schedule
Afternoon Session 1
Opening Conference
Exact two-component Hamiltonians for scalable relativistic quantum chemistry
Break
Afternoon Session 2
Evening Session 1
TBD
Excited-state machine learning molecular dynamics
Break
Evening Session 2
Morning Session 1
Studying strongly correlated materials with density matrix embedding theory (DMET)
Break
Morning Session 2
Evening Session 1
Quantum Computation of Realistic Molecular Systems with Density Matrix Embedding Theory
Break
Evening Session 2
Virtual screening of EGFR inhibitors and RG-MPNN model for chemical property prediction
Closing Conference
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ORGANIZERS
Academic Committee
Keli Han (Dalian Institute of Chemical Physics, CAS)
Jun Li (Tsinghua University)
Xiangyuan Li (Sichuan University)
Wenjian Liu (Shandong University)
Zhigang Shuai (Tsinghua University)
Jinlong Yang (University of Science and Technology of China)
Organizing Committee
Xuebin Chi (Center of Scientific Computing Applications & Research, CAS)
Zhong Jin (Center of Scientific Computing Applications & Research, CAS)
Previous Events
check information on previous events in the ICT-HPCC conference series