In this age of Human Mars landing, sophisticate technology and human lives has been improved much due to the advancement of the technology enabled by science and technology revolution. Growing number of emerging fields provide complexity to the human brain to adopt and cope up with these emerging trends. In this regard, computational science plays major role in reducing the complexity. Computational Science is a rapidly growing multi- and interdisciplinary field that apply theoretical concepts by using advanced computing to understand, analyse and solve complex problems in physics, chemistry and biology. It significantly reduces time and cost of the complement area- the experiment.