XACS
Xiamen Atomistic Computing Suite
News
17
April
2024
JPCL | Tell Machine Learning Potentials What They Are Needed For: Simulation-Oriented Training
See our paper in JPCL for more details as well as the tutorials on how to use MLatom for such simulations.
12
April
2024
April updates: Backup, feedback, surface-hopping dynamics, constrained geometry optimization, and more
We have made several updates of the XACS platform and software.
10
April
2024
Faster & more accurate than DFT: AIQM1 in MLatom@XACS
AIQM1 (artificial intelligence–quantum mechanical method 1)
7
April
2024
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.