The discovery of new solid-state materials in powder, single crystal, and powder form and relevant attractive properties brings about the innovation of materials science and engineering. Development of synthetic approaches and characterization methods, occasionally assisted by computational approaches, enables us to further control the compositions, local structures, and morphologies at the atomic level, extending the properties and applications of materials. New materials are being obtained via exploratory synthesis, but chemists have recently focused on the rational design of materials so as to maximize the functional properties. This symposium will be aimed to share the latest advances and great challenges in the discovery of novel functional materials through rational design approach, including energy storage, photonic, electronic, magnetic, thermoelectric, and superconducting materials. It will also highlight the cutting-edge theoretical, numerical, and modelling approaches, as well as characterization and analytical methods.