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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…
physics.comp-ph2024
Validation of the GreenX library time-frequency component for efficient GW and RPA calculations
Maryam Azizi, Jan Wilhelm, Dorothea Golze +5
Electronic structure calculations based on many-body perturbation theory (e.g. GW or the random-phase approximation (RPA)) require function evaluations in the complex time and freq…