Concepedia

Performance of parallel TURBOMOLE for density functional calculations

Malte von Arnim, Reinhart Ahlrichs

Journal of Computational Chemistry · 1998 · 475 citations · 0 references

Concepts

ComputingHigh-performance ComputingComputational ChemistryParallel AlgorithmsParallel ComputingData ParallelismDensity Functional TheoryParallel ArchitecturesParallel Numerical MethodsParallel Performance AnalysisEnergy Density Functional