XACS
Xiamen Atomistic Computing Suite
News
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.
27
March
2024
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.