Asphalt　pavement　has　been　widely　used　in　the　world.　As　the　main　components　of　asphalt　pavement,　the　asphalt　binder　is　crucial　to　the　service　performance　and　life　of　the　road.　In　the　past　decades,　numerous　studies　were　conducted　on　technical　performance,　aging,　and　modification　of　the　asphalt　binder.　With　the　development　of　modern　technology,　it　was　discovered　that　the　microscopic　properties,　aging　mechanism,　and　modification　mechanism　of　the　asphalt　binder　affect　the　macroscopic　performance　of　asphalt　pavement　significantly.　As　a　new　emerging　powerful　numerical　tool,　the　molecular　dynamics　(MD)　simulation　has　been　developed　to　study　the　asphalt　binder　material　from　a　micro　perspective.　Based　on　the　previous　studies,　some　average　asphalt　binder　models,　fractional　asphalt　binder　models,　aged　asphalt　binder　models,　and　modifier　models　were　proposed　by　many　researchers,　which　have　made　remarkable　progress　in　asphalt　studies;　the　microproperties,　aging　mechanism,　and　modification　mechanism　of　the　asphalt　binder　can　also　be　analyzed　using　the　MD　simulation.　Overall,　the　state-of-the-art　review　provides　a　comprehensive　view　for　the　readers　to　better　understand　the　development,　establishment,　and　application　of　the　asphalt　molecular　model.