April updates: Backup, feedback, surface-hopping dynamics, constrained geometry optimization, and more

We have made several updates of the XACS platform and software.

Faster & more accurate than DFT: AIQM1 in MLatom@XACS

AIQM1 (artificial intelligence–quantum mechanical method 1)

Inorg. Chem. : Application of chemical bond analysis in lithium-sulfur batteries design

New example on the application of XACS showcases the study of Wang Changwei from Shaanxi Normal University and Mo Yirong from the University of North Carolina at Greensboro.

Training and using machine learning potentials with MLatom@XACS

MLatom@XACS is a powerful tool for training and using machine learning potentials. It supports a wide variety of representative potentials.

Surface hopping dynamics with MLatom is coming: Join online broadcast!

We will hold online broadcast demonstrating new features on April 3, at 15:30 Beijing time/9:30 am CET on the XACS Youtube channel.

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