The driving force for chemical reactions is energy lowering. Thus, the idea to analyze energy comes naturally. The bonding energy can be decomposed into several sub-terms. Such methods are called energy decomposition analysis (EDA) methods. Many different approaches have been developed here. They all have in common that they split up the (experimentally measurable) bonding energy into sub-terms which are not experimentally accessible. However, these sub-terms can be connected to chemical concepts like Pauli repulsion, orbital interaction, electrostatic interaction, dispersion attraction, etc. Thus, these methods deliver a quantitative analysis of the bonding in a chemical system and allow discussion of the origin of a certain bonding arrangement as well as discussion of trends among similar systems. The EDA has been applied recently to AS-ALD using its extension to PBCthe energy decomposition analysis for extended systems (pEDA). It is promising to gain further insights into the driving forces for precursor/inhibitor-surface interactions as well as selectivity mechanisms in the future.