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20092021
most citedCP2K: An Electronic Structure and Molecular Dynamics Software Package -- Quickstep: Efficient and Accurate Electronic Structure Calculations

4.5k citations · 5.1k across the 8 of their papers we have counts for

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Showing 2018Show all

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physics.comp-ph2018★ 31 cited

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…