In AIMD, the forces acting on atoms are determined by quantum chemical calculations, resulting in chemical structures and bonding with the required accuracy. This makes AIMD a powerful tool for studying corrosion where different phases or compounds might form depending on the conditions. However, the high computational demand of AIMD simulations poses a serious issue, limiting the size of the system and the length of the simulation time scale. Therefore, AIMD simulations are particularly valuable for complex chemical processes where reaction mechanisms are not well understood or difficult to characterise using experimental techniques.