XACS
Xiamen Atomistic Computing Suite
News
22
April
2024
Join online broadcast: Active learning for building your data and machine learning potentials
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.
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)