Ultra-high performance concrete (UHPC) is a relatively new building materials, which has superior durability, ductility and strengths in comparison with Normal Strength Concrete (NSC) and Fiber Reinforced Concrete (FRC) due to its extremely low porosity, dense matrix, high homogeneous system and the inclusion of various fibres. However, in recent years, due to the fact that more and more attentions have been paid on low carbon footprint development and cleaner products, many complicated raw materials and preparation methods are included into the development of UHPC. Therefore, the optimized design of UHPC should be carefully treated and deeply understood. To solve the problem mentioned above, a series of approaches have been proposed in the authors’ group: 1) Optimized design of UHPC matrix skeleton based on particles dry packing; 2) Optimized design of UHPC matrix skeleton based on particles wet packing; 3) Optimized design of UHPC matrix skeleton considering chemical reaction; 4) Optimized design and application of steel fibres; 5) The application of AI techniques.