We are pleased to announce that XMVB@XACS version 3.1 is available now. Two major improvements are implemented in the update: 1. Hybrid MPI/OpenMP parallelization 2. Symmetry control during SCF

第二届厦门原子计算套件(XACS)研讨会将于2023年5月12日至15日在厦门大学举办。欢迎从事相关研究的科研人员和师生踊跃参加。

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