There has been a significant amount of work experimentally to observe both the structure and measure the properties of grain boundaries but the five dimensional degrees of freedom of grain boundaries within complex polycrystalline networks has not yet been fully understood and thus there is currently no method to control the structure and properties of most metals and alloys with atomic precision. Part of the problem is related to the fact that much of the theoretical work to understand grain boundaries is based upon construction of bicrystal (two) grains which do not represent the network of grains typically found in a real system and the use of classical force fields such as the embedded atom method often do not describe the physics near the grains correctly and density functional theory could be required to give realistic insights. Accurate modelling of grain boundaries both in terms of structure and atomic interactions could have the effect of improving engineering which could reduce waste and increase efficiency in terms of material usage and performance. From a computational point of view much of the research on grain boundaries has focused on bi-crystal systems, these are systems which only consider two grain boundaries. There has been recent work which has made use of novel grain evolution models which show that there are substantial differences in the material properties associated with whether curved or planar grains are present.