Towards High Performance Relativistic Electronic Structure Modelling: The EXP-T Program Package
Alexander V. Oleynichenko, Andréi Zaitsevskii, Ephraim Eliav
Topics & Concepts
Computer scienceComputational scienceScalingElectronic structureExtensibilityPerspective (graphical)SoftwareFock spaceCluster (spacecraft)Coupled clusterSpace (punctuation)PhysicsRelativistic quantum chemistryData structureElectronic systemsTheoretical computer scienceComputational physicsElectronic engineeringComputer engineeringSoftware packageElectronic componentSuperheavy ElementsTopology (electrical circuits)Advanced Chemical Physics StudiesAdvanced Physical and Chemical Molecular InteractionsMachine Learning in Materials Science