Nano catalysis refers to the application of nanomaterials as catalysts in chemical reactions. Catalysts are substances that accelerate the rate of chemical reactions without being expended in the handle. When these catalysts are at the nanoscale, they show special properties compared to their bulk partners. Atomic recreation alludes to computational strategies utilized to demonstrate and recreate the behaviour of atoms and materials at the nuclear and atomic levels. It gives experiences into the structure, flow, thermodynamics, and intuitive of particles, which are troublesome or impossible to watch straightforwardly through test strategies alone. Atomic simulations are significant for understanding and anticipating the properties of materials and atoms in different logical and designing areas.