The biocompatibility profiles of synthetic substances known as biomaterials used for the replacement or augmentation biological tissues have always been a critical concern within the health care disciplines. It is well known that the root form or endosteal plate form, and pin-type dental implants are generally made from High ceramics from aluminum, titanium and zirconium oxides, where the compressive, tensile and bending strengths exceed the strength of compact bone by 3 to 5 times. These properties combined with high moduli of elasticity and especially with fatigue and fracture strength have resulted in specialized design requirements for this class of biomaterials [1]. In this context we propose a reliable numerical model, which is capable of accurately reproducing the structure as well as the vibrational properties of a simulated material. Thus molecular dynamic (MD) simulations, where the minimum energy configurations are found iteratively following the constraints imposed by interatomic forces, proved to be particularly convenient for the modelling of such biomaterial structures [2]. Examples of MD simulated surfaces. Figure (1a) shows the bulk structure without surface (infinite system) while (1b) shows a 2d slab of the same biomaterial but with the surface on top. For the top layer, the distance between the ions in (1a) is greater than in (1b) which means that the atoms have been rearranged to minimize the system energy, which results in a denser surface. To construct biomaterial’s surfaces, we started with a periodic (space filling) 1000-atom model and relaxed it with ab initio MD with the omission of periodic boundary conditions in one direction. After a substantial rearrangement, a structure was found having a local minimum in the configurational energy. In such a way we have simulated the following type of surfaces Al2O3, TiO2, Zr2O2 and SiO2. Biomaterial surfaces characteristics versus their ionic bonds, iconicity and contraction of the atoms at top layers was discussed. Finally we discuss the adhesions of different metamaterials such as fused sillica deposited on top of these surfaces.