For instance, density functional theory (DFT) methods, such as 𝜔B97X-D/6-31++G(d,p), have been successfully used to describe inorganic molecular clusters. JKCS communicates with 3 rd party programs such as XTB, ORCA, and Gaussian 33 and manages the calculation communication. The Jammy Key framework allows to perform jobs on the user's local/login computer or on a computer cluster via SLURM job scheduler submission while offering various ways of job distributions, serializations, and parallelizations.