DFT computations in bio ceramics were performed for DOS distribution in HAp Lattice and in beta-tricalcium phosphate (I 2 -TCP) using the potential linear augmented plane wave method (PLAPW) with three types of approximations, namely local density approx., general gradient approx., and modified Becke-Johnson (mBJ) approximations [106. 107]. DFT has also been used in silicon-doped calcium phosphate to study the crystal growth and for the network connectivity (NC) of bioglass [108 -110]. DFT based on Minkowski set operation was applied to porous biomaterials [111].