Modelling of the CUBE's TWIST shell. This paper gives an overview of the main procedures prepared during the phase of the project development within the field of numerical modelling and design. The roof shell elements represent itself twisted shape that together with complicated structurally demanded inner structure forms quite complicated configuration for the concrete volumes as well as for the used reinforcement. Therefore, custom developed numerical method was required to be prepared. For that, the software solutions Rhinoceros 3D and Grasshopper 3D were used as the main algorithmic environment. The paper additionally gives an insight of important aspects required for production of the formwork components, thermal insulation, biaxially oriented carbon reinforcing grids and other parts of the load-bearing shells. Finally, the paper gives an idea how was established a collaboration with partners of the CUBE project in particular in the field of structural analysis.