The International Symposium on Machine Learning in Quantum Chemistry (SMLQC)
Nov. 12–14, 2021, online, hosted in Xiamen, China

The International Symposium on Machine Learning in Quantum Chemistry (SMLQC) will gather the theoretical and computational chemists, who use machine learning to accelerate and improve quantum chemical simulations. The topics of the conference include, but not be limited to, the development of new quantum chemical techniques improved by machine learning, development of new machine learning methods for describing potential energy surfaces and running molecular dynamics, and application of machine learning for description of various physicochemical processes.

SMLQC is a virtual symposium. It has been planned to be held at Xiamen University in person in 2020 and preparation to it started in 2019, but due to the severe pandemic situation, we had to first postpone it and finally make it fully online. We will provide participants with environment facilitating the interaction with each other as in a "real" in-person symposium. We will organize poster sessions and networking activities such as virtual meeting lobby for spontaneous chats, breakout rooms for lively discussions with speakers, chats over coffee breaks, private rooms, etc. (check out the schedule). The symposium is now open for registration (deadline: November 5 November 10).

The symposium is organized and supported by the State Key Laboratory of Physical Chemistry of Solid Surfaces (PCOSS), Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry (FTCC), and College of Chemistry and Chemical Engineering at Xiamen University, China

Invited Speakers

We are pleased to host many leading experts giving talks on how machine learning helps us in quantum chemical research. See the schedule below.


Depending on your location, we provide two options for registration to participate in SMLQC:

  • registration website for international participants. The registration fee is 150 US dollars.
  • registration in Chinese for participants from China with several convenient payment options. Registration fee is 1000 RMB.

In case you have opted for a poster presentation, please prepare your abstract using provided template. You can also send the title of your presentation and abstract to after registration. We recommend to prepare your poster using a template, so that the attendees can clearly see the elements on poster on a notebook screen.

Deadline for the registration, abstract submission and payment of conference fee is November 5 November 10. After this date, we will no longer accept new registrations!

By registering, you agree to receive by email the conference updates such as links to the conference sessions, abstract book, recorded videos of talks, etc.

Registration for participants from China

Please register on website in Chinese for participants from China. Registration fee is 1000 RMB and we provide several convenient payment options. 是为中国参会者提供的中文注册网站。




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Symposium Schedule

Tentative schedule with breaks for discussions and networking activities (all times are for Beijing time zone):

Nov. 12: Invited talks (9:00–18:00), poster session (20:00–23:00).

Nov. 13: Poster session (6:30–8:30), invited talks (9:00–17:30) with lunch and coffee breaks.

Nov. 14: Invited talks (9:00–12:00).

Organizing Committee
Yi ZhaoWei WuPavlo O. DralZexing CaoPeifeng Su

If you have any inquiries, please send them in English or Chinese to email


Academic Contacts
Pavlo O. Dral +86 592 2189445 dral AT
Haimei Qin 0592-2187219 hmqin AT