The 2DECOMP&FFT library is a software framework written in modern Fortran to build largescale parallel applications. It is designed for applications using three-dimensional structured meshes with a particular focus on spatially implicit numerical algorithms. However, the library can be easily used with other discretisation schemes based on a structured layout and where pencil decomposition can apply. It is based on a general-purpose 2D pencil decomposition for data distribution and data Input Output (I/O). A 1D slab decomposition is also available as a special case of the 2D pencil decomposition. The library includes a highly scalable and efficient interface to perform three-dimensional Fast Fourier Transforms (FFTs). The library has been designed to be user-friendly, with a clean application programming interface hiding most communication details from application developers, and portable with support for modern CPUs and NVIDIA GPUs (support for AMD and Intel GPUs to follow).

Nuclear fission technologies have the potential to play a significant role in the energy mix of a net-zero and sustainable society. However, to achieve the sustainability goal two significant challenges remain: efficient and sustainable fuel usage and the minimization of long-term nuclear waste. Civil nuclear molten salt systems and technologies offer the opportunity to address both, delivering future reactors at scale for efficient and effective power production and nuclear waste burnup. Potentially, both objectives could be fulfilled in one reactor system, which could significantly improve sustainability indices. The key to this innovation is demand driven development of a significantly reduced fuel cycle with enhanced proliferation resistance which offers further potential for improvement. To achieve these goals, a transformative approach for salt clean-up during molten salt reactor operation is proposed, by concentrating on the detection and removal of key neutron poisoning elements which prevent the reactor from long-term operation. To enable this highly innovative development work, a novel analysis of the evolving elementary fuel composition, their concentrations, and their criticality influence is now provided in this work. This, combined with consideration of the oxidation states of each of these elements then provides the basis for the selection of these key poisons and the development of advanced separation processes and process monitoring. This work also discusses the importance of the effective integration of physics and chemistry when systems modelling in achieving these system development goals.