In the broadcast, we will demonstrate how MLatom@XACS can be used for accelerating expensive quantum chemical simulations via efficient building of robust machine learning potentials.

See our paper in JPCL for more details as well as the tutorials on how to use MLatom for such simulations.

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

AIQM1 (artificial intelligence–quantum mechanical method 1)

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.