Researchers are increasingly relying on computational technologies to help in simulation of properties of new
materials and some areas in materials science has enjoyed some level of success which ranges from composites,
to polymer science and to advanced ceramics. This review paper discuss certain developments in the area of
computational Materials and how Africa can leverage on this technology to develop their emerging Industries,
while dwelling more on application of computational material science in energy sector, since energy has been
most pressing challenges in Africa which could be addressed by advanced materials. Also, we summarize part of
our research work on galvanic corrosion of mild steel bolt in a magnesium alloy (AZ91D) plate simulation using
comsol Multiphysics and 2k factorial experiments on factors that influence the recovery of gold during the upgrade
of Ilesha-Itagunmodi, Nigeria gold ore through Froth flotation using Anova software. Attempt have been made to
identify existing computational method, challenges of computational materials science deployment in Africa, and
how material development can be accelerated through the power of computational material science. With this work,
we were able to establish that the strength of computational materials science is in making a connection between the
experiment and theories of complex phenomena