Abacus
ABACUS(Atomic-orbitalBasedAb-initioComputationatUStc)isanopen-sourcecomputercodepackageaimingforlarge-scaleelectronic-structuresimulationsfromfirstprinciples,developedattheKeyLaboratoryofQuantumInformationandSupercomputingCenter,UniversityofScienceandTechnologyofChina(USTC)-ComputerNetworkandInformationCenter,ChineseofAcademy(CNICofCAS).