An effort has been made in this communication to discuss some of the significant computational techniques used in the simulation of either bioceramic structures or theory performance. Techniques like MD simulations, Density Functional Theory, Artificial Neural networks, and Finite Element modeling used in Bioceramics for medical applications have been addressed. Some statistical optimization tools like Taguchi analysis Grey relational analysis and analysis software like MEGACELL, GROMACS, and NRecon were also mentioned. These computational techniques are used for bone grafting, bone tissue engineering, making scaffolds, and dental implants. Biocompatibility is however a major concern that needs to be addressed more in the coming future. Brittleness and biocompatibility are two typical problems with using bioceramics, and they call for special consideration while designing the systems. Shortly, bioinformatics, which is based on cutting-edge computational approaches, will have an impact on the biomedical profession.