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

From the 1 of 28 linked papers with an AI index.

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19962025
most citedQuantum ESPRESSO: a modular and open-source software project for quantum simulations of materials

29.3k citations · 39k across the 28 of their papers we have counts for

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Showing 2017 · cond-mat.mtrl-sciShow all

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cond-mat.mtrl-sci2017★ 7.7k cited

Advanced capabilities for materials modelling with Quantum ESPRESSO

P. Giannozzi, O. Andreussi, T. Brumme +47

Quantum ESPRESSO is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the art electronic-structure techniques, based on density-…