Computational science complements experiments and is very important for the simulation of various energy-related processes. By using advanced high-performance computing (HPC) capabilities computational science experts gain new insights and drive innovations in energy efficiency and renewable energy technologies. This enables scientists and engineers to find new ways to tackle energy challenges—challenges that cannot be addressed through traditional experimentation alone. One research group at Technion deciphered the reason for the success of doping iron,the best catalyst known today for splitting water. The group found that iron is able to easily change oxidation states when the iron element is in the catalyst, which is key to the success of the chemical process that mainly depends on the ability of a material to change oxidation states during the reaction.