We are pleased to announce the upcoming international workshop on "Ab Initio Theory: From Molecules to Materials", to be held at the chemistry department of Peking University in July 29-31. In this three-day workshop, we will invite world renowned experts in the field of electronic structure theory to give a series of lectures to graduate students and senior undergraduates. Faculty and researchers in this field are also warmly encouraged to participate.

The workshop will feature approximately 20 invited talks (40 min) with particular focus on density functional theory (DFT) and wave function theory, complemented by about 10 contributed talks (20 min) and no more than 50 poster presentations. We will select several best posters and award them poster prizes (350 USD each). To align with the workshop's educational purpose, speakers are encouraged to structure their lectures to cater to early-career researchers, integrating introductory concepts with recent advances, reviewing big questions and outlooking future development in this field. Topics will span fundamental theories (e.g., electronic structure theories, computational algorithms), emerging methodologies, and applications of ab initio theory from molecules to materials.

With an expected attendance of up to 100 participants, this gathering will foster interdisciplinary dialogue, mentorship, and networking within academia. Attendees will have in-depth discussions with the leading experts in this field and explore collaborative opportunities to advance theoretical and computational research.

We are also open to sponsorship from specialized journals and computation-related companies. Various package options are available. Interested sponsors can contact us via email.

We hope to meet you soon at Peking University. With your participation we look forward to an unforgettable workshop.

Hosts:

Institute of Theoretical and Computational Chemistry, College of Chemistry and Molecular Engineering, Peking University

Organizing Committee:

Chen Li, Hong Jiang, Jian Liu, Yunlong Xiao, Lijiang Yang

Scientific Committee:

Weihai Fang, Yundong Wu, Yiqin Gao

Sponsors: