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

From the 1 of 72 linked papers with an AI index.

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19942023
most citedQuantum ESPRESSO: a modular and open-source software project for quantum simulations of materials

29.3k citations · 52.4k across the 71 of their papers we have counts for

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cond-mat.mtrl-sci2013★ 48 cited

Electron energy-loss and inelastic X-ray scattering cross sections from time-dependent density-functional perturbation theory

Iurii Timrov, Nathalie Vast, Ralph Gebauer +1

The Liouville-Lanczos approach to linear-response time-dependent density-functional theory is generalized so as to encompass electron energy-loss and inelastic X-ray scattering spe…