The Laboratory of Computational Inorganic Chemistry (LabQIC) is dedicated to the research and application of computational methods to the study of inorganic chemical systems. This includes the use of theoretical tools and modeling to understand the properties and behaviors of inorganic compounds, as well the design of new molecules and materials with applications in diverse areas, such as catalysis, nanostructured materials and energy storage, among others. The laboratory has a supercomputer server used for atomistic simulations of inorganic materials. The laboratory’s main focus is the study of optical and magnetic properties of molecular and extended systems.