Computational methods to simulate molten salt thermophysical properties

Molten salts are important thermal conductors used in molten salt reactors and solar applications. To use molten salts safely, accurate knowledge of their thermophysical properties is necessary. However, it is experimentally challenging to measure these properties and a comprehensive evaluation of the full chemical space is unfeasible. Computational methods provide an alternative route to access these properties. Here, we summarize the developments in methods over the last 70 years and cluster them into three relevant eras. We review the main advances and limitations of each era and conclude with an optimistic perspective for the next decade, which will likely be dominated by emerging machine learning techniques. This article is aimed to help researchers in peripheral scientific domains understand the current challenges of molten salt simulation and identify opportunities to contribute.