About the workshop

Electronic-structure theory is the base of the first-principles description and understanding of materials. In recent years, considerable efforts have been devoted to developing sophisticated approximations and computational concepts and methods to address urgent, challenging problems in chemistry, physics, and materials science with improved accuracy and precision.  The present workshop intends to bring together world-leading experts in different areas of electronic-structure theory, including developers of density-functional approximations, quantum chemists, many-body physicists, as well as developers of computational software packages, to present their state-of-the-art research work, and discuss open issues of the field. Such an interdisciplinary (albeit with common interest) meeting will provide an excellent platform for exchanging knowledges, stimulating new ideas, and identifying important new research directions.

This workshop is the second edition of the electron structure theory workshops co-organized by the Max Planck Partner Group on Advanced Electronic Structure Methods and the Fritz Haber Institute (FHI). (For more information about the first workshop, see https://nomad.fhi.mpg.de/meetings/faesm2016/index.php).  This time, the workshop will also feature sessions on the big-data driven approach to materials science, which has become an actively developed field in recent years. The merger of new developments of electronic-structure methods and big-data/artificial intelligence (AI) approaches will be an important theme of the workshop.   

Generally, the workshop will cover (but not restricted to) the following topics:

  • Density functional theory and beyond
  • Quantum chemistry methods for materials
  • First-principles code developments
  • Artificial intelligence for materials' research
  • Recent development of materials science databases

The workshop will consist of sessions of invited talks and contributed poster sessions. Young researchers are encouraged to participate in the workshop and present their work in the form of posters. The workshop is expected to be a highly exciting and stimulating event. We look forward to meeting you in Beijing in October, 2023.

How to apply

The registration of participation and the submission of abstract can be done via the registration tab.

Conference fee

Faculty members:1500 RMB 

Students/postdocs: 1200 RMB

The conference fee covers all the meals, tea break, and banquet during the workshop.


Xinguo Ren (Institute of Physics, CAS)

Runhai Ouyang (Shanghai University)

Volker Blum (Duke University)

Workshop Secretaries

Zhicong Bian (Institute of Physics, CAS), theory@iphy.ac.cn

Zicun Li (Institute of Physics, CAS), lzcun@nuaa.edu.cn

Anna Lutz (Fritz Haber Institute, MPG), lutz@fhi.mpg.de

Important Dates

June 5, 2023, Registration starts

September 30, 2023, Registration closes

October 16, 2023, Start of the workshop

October 19, 2023, End of the workshop