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The Journal of Chemical Physics· 2020Q1· Review

CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations

Thomas D. Kühne, Marcella Iannuzzi, Mauro Del Ben, Vladimir V. Rybkin et al.

Short summary

CP2K is an open-source software package designed for atomistic simulations across various systems, excelling in massively parallel and linear-scaling electronic structure methods.

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Field: Atomic and Molecular Physics, and Optics

Atomic and Molecular Physics, and OpticsPhysics and Astronomy