Welcome to ABCluster’s tutorial!


I understand that most readers (including me) hate reading lengthy software manual. Thus:

  • This tutorial is composed of many realistic cases. In each case, you can finish a real global optimization under step-by-step instructions.

  • You can just go over the Contents below, see which “Example” subsection is the most relevant to your interested problems and then go there!

ABCluster has a very low study-curve: it is developed as a black-box program, so you can quickly start you scientific research without being distracted by uninterested details!


The best way to support the development of ABCluster is that in any published works using ABCluster, please include the following references:

Below is a review of recent development of global optimization algorithms for chemical clusters, including many applications of ABCluster:

Below is the graph representation learning-enabled automatic atom typing algorithm used in ABCluster:


Other relevant references are also welcomed to be cited: