A combination of experimental and theoretical approaches is proposed to determine the best template and conditions to synthesized a bio-active open mesopore structure material with a 3D- sponge-like network similar than those existed in trabecular bone with a consequent saving of time and products. Specifically, we discuss the possibility of combining experimental methods with theoretical methods that have been published in J Mater Sci 2012, 47, 2837-2844 and Langmuir 2015, doi: 10.1021/acs.langmuir.5b03074, respectively. The strategy proposed opens a new gate to the rational design of 3D hierarchically scaffolds for bone repair in the future.