Structure-directing functional materials at the nanoscale through bottom up type block copolymer (BCP) self-assembly attracts significant current scientific interest due to their potential impact on the engineering of new metamaterials. Metamaterials offer new functionalities such as super-resolution imaging, cloaking, and thermal control. In order to efficiently develop novel metamaterials, predictive theoretical studies that explore the associated vast space of material parameters are highly desirable but are often lacking. In this talk, I will discuss that theoretical approaches can guide the development of BCP derived metamaterials to overcome current limitations in metamaterials fabrication. The topics include metamaterials fabrication, optical metamaterials, and thermoelectrics.