Faster & more accurate than DFT: AIQM1 in MLatom@XACS

Published Time:  2024-04-10 20:27:10

AIQM1 (artificial intelligence–quantum mechanical method 1) is a general-purpose method approaching the gold-standard coupled cluster quantum mechanical method with high computational speed of the approximate low-level semiempirical quantum mechanical methods for the ground-state, closed-shell species, but also transferable for calculation of charged and radical species as well as for excited-state calculations with a good accuracy. 

You can check out the AIQM1 tutorial for more information.