Xiamen Atomistic Computing Suite (XACS) is a platform for fast and accurate molecular quantum mechanical computations with unique insight. XACS offers online cloud computing services for its core packages (XMVB for valence bond theory calculations, XEDA for energy decomposition analysis, and MLatom for artificial intelligence simulations) for free for academic and non-commercial purposes (such as education and research). See XACScloud.com for more information.

We are happy to announce that a brand new XACS cloud computing with tons of new useful features is tentatively scheduled to be released on September 11. We will also hold two online broadcasts demonstrating new features. One of them in English on September 12, at 15:30 Beijing time/9:30 am CET and another in Chinese on September 13, 10 am Beijing time; both for ca. 15 min. In these broadcasts, you will be able to ask questions in real time and give suggestions in English and Chinese. You can access the English broadcast on the XACS YouTube channel at  https://youtube.com/live/qycyASw36Lk?feature=share and the Chinese broadcast on the XACS WeChat channel, scan the code below:

Prepare to say good-bye to the old cloud computing…

We will soon say good-bye to our old cloud computing page which only supported the submission of the job through the basic web-interface for input files:

Note: for the transition period you will be able to access the old trusted interface but keep in mind that it will be gone for good in the near future.

…and to say hello to the new computing!

The new computing will give you much more flexibility to do what you want online:

• XACS terminal
• XACS file manager
• XACS job manager
• XACS job submitter

Below we give you a sneak peek at what to expect.

XACS terminal

Ever wanted to use XACS software as you would work in the terminal on your computer? It will be soon possible with our new XACS online terminal to submit new jobs, start scripts, access and manage all your files and directories through command line.

XACS file manager

You will be able to browse through your files and sort them out with the new file manager. A nice feature is that it is seamlessly connected to the terminal and job submitter so that you will be able to directly submit your job from it!

XACS job manager

You will also have easier navigation through your computing jobs, e.g., you will be able to see and manage their status and directly jump to the directory with the input and output files.

XACS job submitter

Finally, if you want to submit a new job without much hustle, you will be able to use the new job submitter which is similar to the old one but is now seamlessly connected to all other new functions.

Upgraded XACS core packages

In addition to the upgrade of the XACS cloud computing we also release improved versions of XACS core software packages MLatom, XMVB, and XEDA:

* A brand new MLatom 3 with tons of new features including more simulation options, Python API for user-customized workflows. See a pre-release announcement at https://xacs.xmu.edu.cn/articles/News/1016.

* XMVB 3.2 implemented a newly developed method, selected VBCI, in which VB structure selection algorithm is used. 

* The standalone version of XEDA will be released with the implementation of Hartree-Fock and KS-DFT methods.  This version is much more faster than the previous versions. Please see the manual of XEDA(standalone) at https://xacs.xmu.edu.cn/articles/markdown_view/manuals&XEDA