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20172021
most citedIncreasing the Efficiency of Sparse Matrix-Matrix Multiplication with a 2.5D Algorithm and One-Sided MPI

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physics.comp-ph2018

Pushing Back the Limit of Ab-initio Quantum Transport Simulations on Hybrid Supercomputers

Mauro Calderara, Sascha Brueck, Andreas Pedersen +3

The capabilities of CP2K, a density-functional theory package and OMEN, a nano-device simulator, are combined to study transport phenomena from first-principles in unprecedentedly…