Prof. Pavlo O. Dral's book “Quantum Chemistry in the Age of Machine Learning” was published by Elsevier on 16th September, 2022.

MLatom@XACS team introduced how to use machine learning in chemistry in the CECAM Machine Learning and Quantum Computing for Quantum Molecular Dynamics [MLQCDyn] school.

J. Chem. Phys. 157, 084106 (2022); doi: 10.1063/5.0097614

J. Chem. Phys. 157, 034104 (2022); https://doi.org/10.1063/5.0091781

XEDA employs LMO-EDA, GKS-EDA and their extensions to explore the physical origin of intermolecular interactions.