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The 1st XACS Workshop

Posted:2022-04-13  Visits:

We will hold the first XACS workshop on 22-24 April 2022. The predecessors of XACS workshops were XMVB workshops hosted by Xiamen University. XACS workshop will be hybrid online/offline domestic (i.e., held for participants in China) event with offline part only for Xiamen University staff and students due to the current epidemic situation.

This 3-day workshop has the following tentative schedule:

l Day 1 (Fri., 22 April): XMVB workshop

Ø morning: lectures

Ø afternoon: practical tutorials

l Day 2 (Sat., 23 April): XEDA workshop

Ø morning: lectures

Ø afternoon: practical tutorials

l Day 3 (Sun., 24 April): MLatom workshop

Ø morning: lectures

Ø afternoon: practical tutorials. We will teach how to build and use ML models including the state-of-the-art AIQM1 approach!

Hurry up to register to the workshop! It is free, but the number of places is limited (up to 50 online and 30 offline participants). In addition, our first workshop is limited to the participants in China. In order to register, please send email to Deadline for registration is 20 April 2022.

Look forward to welcoming you!

What is XACS?

The mission behind the Xiamen Atomistic Computing Suite (XACS) is to provide theoretical and computational chemists with efficient, friendly and unique atomistic computing software packages for quantum chemical and artificial intelligence calculations of atomistic systems with the main development base at Xiamen University, China.

At present, XACS contains three core packages:

l XMVB - A Valence Bond Theory Based Quantum Chemistry Program

l XEDA - A General and Multipurpose Energy Decomposition Analysis Program

l MLatom - A Package for Atomistic Simulations with Machine Learning

XACS also provides other practical quantum chemical calculation tools.

XACS cloud computing services for our three core software packages can be used to perform online calculations with XACS packages without downloading and installing them. In order to promote research and software development in relevant fields around the world, we provide free XACS packages and cloud computing services for academic and non-commercial purposes (such as education and research). In addition, we will hold regular XACS workshops, where the users can learn relevant theories and obtain practical skills in performing computations.

For more information about XACS, please visit