The　objectives　of　this　study　are,　1)　to　simulate　asphalt　binder　modified　with　exfoliated　multi-layered　graphite　nanoplatelets　(xGNP)　using　the　Molecular　Dynamics　(MD)　method,　and　2)　to　analyze　different　modulus　properties　of　these　asphalt　binder　models　compared　with　those　of　the　control　asphalt　binder　model.　The　multi-layered　graphene　model　was　used　to　represent　the　xGNP　particles,　which　were　used　to　modify　the　control　asphalt　in　the　laboratory.　The　three-component　control　asphalt　binder　model　was　used　as　in　the　authors＇　previous　study.　The　xGNP　modified　asphalt　binder　model　was　built　by　incorporating　the　xGNP　model　and　control　asphalt　binder　model　and　controlling　mass　ratios　to　represent　the　laboratory　prepared　samples.　After　the　xGNP　modified　asphalt　binder　model　was　generated,　the　densities　of　the　control　and　xGNP　modified　asphalt　binder　models　were　computed　and　verified.　Mechanical　properties　of　these　models　were　simulated　and　calculated　in　MD　simulations　using　procedures　similar　to　those　in　the　experiments,　which　include　the　bulk　modulus,　Young＇s　modulus,　shear　modulus　and　Poisson＇s　ratio.　The　simulation　results　indicate　that　the　temperature-modulus　trends　of　these　asphalt　binder　models　were　comparable　to　those　of　the　laboratory　data.　The　MD　simulation　data　were　larger　than　the　laboratory　results　due　to　limitations　of　the　current　MD　simulation,　which　are　discussed　in　this　study.　In　addition,　Poisson＇s　ratios　calculated　from　the　MD　simulations　coincided　with　the　laboratory　results.　(C)　2017　Elsevier　Ltd.　All　rights　reserved.