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Achieving performance portability in Gaussian basis set density functional theory on accelerator based architectures in NWChemEx

EngineeringHardware AccelerationPhysicsAdvanced ComputingNatural SciencesHigh-performance ArchitectureComputer EngineeringComputer ArchitectureComputer ScienceComputational ChemistryQuantum ChemistryParallel ComputingSupercomputer ArchitecturePerformance PortabilityGaussian Basis