XEDA is a fast and multipurpose energy decomposition analysis (EDA) program

The 2nd SMLQC seminar (smlqc.mlatom.com) will be given by Max Pinheiro Jr on Feb. 16, 2023.

MLatom founder and XACS co-founder Professor Pavlo O. Dral joins the Editorial Board of Artificial Intelligence Chemistry

2022, the year of the inception of our XACS, is coming to an end. Here is our brief roundup of the first year of XACS.

The comparative study is performed for a general two-state spin-boson model where the performance of the models was assessed by the mean absolute error (MAE) and computational times for training and prediction.