Molten　salt　is　widely　utilized　as　high-temperature　heat　transfer　and　storage　medium.　Firstly,　the　molecular　dynamics　and　potential　function　of　molten　salt　is　summarized　and　analyzed　in　this　work.　Buckingham　potential　is　more　suitable　for　nitrate　and　fluoride　molten　salts,　while　BMH　potential　is　better　suited　for　carbonate　and　chloride　molten　salts.　Secondly,　the　transport　and　thermophysical　properties　of　molten　salt　and　molten　salt　nanofluids　are　analyzed　and　summarized.　The　increase　of　Li+　concentration　leads　to　higher　specific　heat　capacity　and　thermal　conductivity,　and　it　increases　simulation　error.　Increasing　K+　concentration　reduces　specific　heat　capacity　error　but　increases　calculation　error　for　other　thermal　properties.　Carbonate　simulations　exhibit　relatively　small　errors　with　good　agreement　with　experimental　data.　Adding　nanoparticles　to　molten　salt　is　an　effective　method　to　enhance　molten　salt　thermal　physical　performance.　Future　research　directions　in　the　field　of　molecular　dynamics　of　molten　salt　encompass　investigating　the　impact　of　nanofluids　on　molecular　dynamics,　mitigating　simulation　errors,　exploring　corrosion　characteristics　through　molecular　dynamics　simulations.　Large-sized　interface　model　and　long-term　scale　are　more　effective　for　joint　experimental　and　theoretical　results　according　to　the　machine　learning　accelerated　molecular　dynamics　research.　More　combinatorial　properties　such　as　corrosion　characteristics　can　be　explored　through　molecular　dynamics　simulations,　providing　a　new　basis　for　molten　salt　application.　©　2024　Elsevier　B.V.