Xiamen Atomistic Computing Suite (XACS) is a platform for fast and accurate
molecular quantum mechanical computations with unique insight. It leverages
state-of-the-art valence bond theory and energy decomposition analysis of chemical
bonding and artificial intelligence methods to break through the limitations of
traditional quantum chemical methods.
XACS is based on combined expertise of internationally recognized specialists and
developers of the suite’s core packages:
for valence bond theory calculations,
for energy decomposition analysis, and
for artificial intelligence simulations. We promote research in
relevant fields around the world by providing our packages and online cloud
computing services for free for academic and non-commercial purposes (such as
education and research). In addition, we hold and assist in regular trainings of
next-generation specialists, where the users can learn relevant theories and
obtain practical skills in performing computations.