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density functional theory 1electronic structure 1high-performance computing 1open-source software 1plane-wave methods 1pseudopotentials 1

From the 1 of 114 papers with an AI index.

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20022025
most citedQuantum ESPRESSO: a modular and open-source software project for quantum simulations of materials

29.3k citations

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Showing 2014 · cond-mat.softShow all

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cond-mat.soft2014★ 48 cited

Kinetic dielectric decrement revisited: phenomenology of finite ion concentrations

Marcello Sega, Sofia Kantorovich, Axel Arnold

With the help of a recently developed non-equilibrium approach, we investigate the ionic strength dependence of the Hubbard--Onsager dielectric decrement. We compute the depolariza…