The study of molten salt properties has seen a major resurgence in recent decades due to promising applications in clean energy technologies such as molten salt reactors and concentrated solar power storage. The diverse application of molten salts is primarily due to their usage in high-temperature heat-transfer media. Molten salts are excellent candidates in these systems due to their favorable physicochemical properties (e.g., thermal conductivity, heat capacity, viscosity, etc.) and relatively low cost of production. When designing and optimizing salt mixture compositions for various applications, however, exploration of a high-dimensional material space is required to select for candidates with optimal properties. In addition, it is important to understand corrosion at alloy/molten-salt interfaces and propertyevolution during reactor operation. This makes the experiments (such as X-ray and neutron diffraction and electrochemical mea-surements ) expensive and challenging under extreme conditions.