As per the figures of UN, the energy needs of the world will augment greater than two or three times in the coming years, as the population of the world increases from about over 7.4 Bn to over 9.8 Bn over the forecast period.

It is not adequate to increase the capacity of wind and solar energy as the alternative for fossil fuels. Both the sources gratify the requirement for environmental sustainability as they are unbalanced because of their dependence on changeable weather.

Because of variability is that the electrolysis and catalysts are progressively becoming important hope can endure the steady energy supply. Catalysts are utilized for several things in the chemical sector, from the transformation of injurious exhaust gases from cars for the conversion of nitrogen from the atmosphere for fertilizers.

Jan Rossmeisl, Professor at Department of Chemistry in the University of Copenhagen claims that “There is still a long way to go in the development of catalysts that can be used for e.g. fuel cells, storage of solar and wind energy and new environmentally friendly fuels. The catalysts that exist today are not good enough to ensure a green transition”.

Professor Jan Rossmeisl describes that “It is difficult to find the right alloy of metals for catalysts among infinitely many possibilities despite today’s supercomputers. Finding the best alloys would take a lifetime. We use the so-called high-entropy alloys, which are random mixtures of many elements, as a starting point and we have developed computer models based on machine learning. In this way, it becomes easier to sort the myriad of combinations of alloys and find those that can solve the problem of converting and storing solar and wind energy efficiently”.

The chemical sector is using catalysts for the procedure to work effectively though leftover eco-friendly, from the conversion of exhaust gases from cars for the production of fertilizers by using the nitrogen from the atmosphere. In the middle of chemical processes as they do not have efficient catalysts and will need the solutions in the coming future. For instance, converting carbon dioxide into useful substances to ease climate change, and the reaction between hydrogen and oxygen to form water for the use of fuel cells. Catalysts role is to support the transformation of chemical substances in a chemical reaction and the efficient catalyst can do this rapidly and with the loss of small energy. It is the biggest challenge to forecast which material can act as a good catalyst for the chemical reaction, and the problem for suggesting the solution with new class materials known as high-entropy alloys.

High entropy alloys are made of the mixture of over five metals which is currently used as catalysts. The first theoretical study is present in describing the systematic advantage from high-entropy alloys providing the best alloy contender that can catalyze the chemical reaction.