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20022025
most citedCP2K: An Electronic Structure and Molecular Dynamics Software Package -- Quickstep: Efficient and Accurate Electronic Structure Calculations

4.5k citations · 6.3k across the 13 of their papers we have counts for

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physics.comp-ph2025★ 1 cited

The CP2K Program Package Made Simple

Marcella Iannuzzi, Jan Wilhelm, Frederick Stein +24

CP2K is a versatile open-source software package for simulations across a wide range of atomistic systems, from isolated molecules in the gas phase to low-dimensional functional ma…