We present an overview of state-of-the-art theory of (i) conformational properties of molecular bottlebrushes in solution, (ii) self-assembly of di- and triblock copolymers comprising comb-shaped and bottlebrush blocks in solutions and melts, and (iii) cross-linked and self-assembled gels with bottlebrush subchains. We demonstrate how theoretical models enable quantitative prediction and interpretation of experimental results and provide rational guidance for design of new materials with physical properties tunable by architecture of constituent bottlebrush blocks.