Using state-of-the-art methods to study the strong effects that the shapes of the particles have on the formation of ordered structures such as crystals, plastic crystals, and liquids crystal, the optimization of colloidal particle shapes with non-convex geometries such as rings, branches particles, and colloidal frames, for the design of highly-open macroporous ordered structures and the methodology, known as SAFT-VR Mie, an accurate molecular-based equation of state (EoS) for chain molecules.