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20062026
most citedCP2K: An Electronic Structure and Molecular Dynamics Software Package -- Quickstep: Efficient and Accurate Electronic Structure Calculations

4.5k citations · 5.5k across the 9 of their papers we have counts for

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cond-mat.mtrl-sci2007★ 406 cited

Coexistence of tetrahedral and octahedral-like sites in amorphous phase change materials

S. Caravati, M. Bernasconi, T. D. Kuehne +2

Chalcogenide alloys are materials of interest for optical recording and non-volatile memories. We perform ab-initio molecular dynamics simulations aiming at shading light onto the…