The nanoBASQUE Strategy is an initiative promoted by the Department of Industry, Trade and Tourism of the Basque Government. It is aimed at encouraging world-class nanoscience research for the development of a new industrial sector that would be enabled by nanotechnology, thereby providing the tools for competitiveness, innovation, and growth in the Basque Country. The nanoBASQUE Strategy hopes to establish the Basque Country as a genuine international point of reference in nanoscience research and the development of a nanotechnology-based industry. One of the basic mainstays on which the nanoBASQUE Strategy is built is the Nanoscience Cooperative Research Center, CIC nanoGUNE Consolider. The CIC nanoGUNE Consolider is a newly established center created with the mission of addressing basic and applied world-class research in nanoscience and nanotechnology, fostering high-standard training and education of researchers in this field, and promoting the cooperation among a range of agents in the Basque Country. One of the areas of research of the CIC NanoGUNE Consolider is the theory and simulation of nanosystems and complex materials. The computational description of cementitious materials is one of the particular lines included in this area and itis being carried out by a joint and long-standing collaboration between LABEIN-Tecnalia and the DIPC.