Up to now, the underlying mechanism about the salt erosion aging of the asphalt has not been fully revealed yet, leading to the limitation of research on extending the lifespan of asphalt in salt erosion environment. Therefore, this work adopted the molecular dynamics (MD) method, aimed to investigate the potential mechanism of the salt erosion aging behavior of the asphalt from a molecular perspective. The asphalt models invaded by sodium sulfate and sodium chloride were established, and the invading salt amount was controlled to simulate the different aging degree. Various thermodynamics and energy parameters are output as simulation results. Results indicated that the potential energy and CED of the asphalt raise with the increasing amount of the salt invading into the asphalt, and the sodium sulfate exhibits a significant impact on increasing energy compared to the sodium chloride. Besides, the introduction of the salt increased the FFV of the asphalt, increasing the possibility of water damage in asphalt. Results of RDF exhibited that salt will intensify the self-assembly of the asphaltenes, which will endow asphalt with stronger elastic response. Moreover, at the same weight, sodium chloride had a larger number of ions, which formed wider connection with the asphaltenes, leading to a more serious self-assembly behavior compared to the sodium sulfate. In addition, the curve of relative concentration showed that the presence of salt prompted the weak or no polar fractions to separate from asphalt and enter the aqueous phase, which was called salt-out. Finally, an aging test in the laboratory was conducted, and the results prove the accuracy of the simulation.