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

From the 1 of 93 linked papers with an AI index.

activity
19972023
most citedQuantum ESPRESSO: a modular and open-source software project for quantum simulations of materials

29.3k citations · 50.4k across the 93 of their papers we have counts for

collaborators
Showing 2021 · physics.comp-phShow all

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physics.comp-ph2021★ 2.1k cited

Quantum ESPRESSO toward the exascale

Paolo Giannozzi, Oscar Baseggio, Pietro Bonfà +12

Quantum ESPRESSO is an open-source distribution of computer codes for quantum-mechanical materials modeling, based on density-functional theory, pseudopotentials, and plane waves,…