System Operation Functions These functions allow to manipulate the simulation system. Next an orientative division into operations that help to set up the system and operations that help to modify preexisting systems is presented. Setting up the systems Build Supercell Carve geometry Create and fill cell Create formulation based on concentrations Create layer Create layer on surface Fill cell Modifying preexisting systems Insert system Join systems Modify cell size Orient system Principal axis Remove components Rotate system Set charge Scale system Translate Modify formulation based on concentrations Dry system Remove non-adsorbed molecules Workflow Catalog Build Supercell