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

From the 1 of 51 linked papers with an AI index.

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19962026
most citedQuantum ESPRESSO: a modular and open-source software project for quantum simulations of materials

29.3k citations · 55.1k across the 51 of their papers we have counts for

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cond-mat.mtrl-sci2007★ 30 cited

Interplay between Bonding and Magnetism in the Adsorption of NO on Rh Clusters

Prasenjit Ghosh, Raghani Pushpa, Stefano de Gironcoli +1

We have studied the adsorption of NO on small Rh clusters, containing one to five atoms, using density functional theory in both spin-polarized and non-spin-polarized forms. We fin…