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

From the 1 of 13 linked papers with an AI index.

activity
20052019
most citedQuantum ESPRESSO: a modular and open-source software project for quantum simulations of materials

29.3k citations · 38.7k across the 13 of their papers we have counts for

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Showing 2008Show all

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cond-mat.mtrl-sci2008

Bridging the size gap between density-functional and many-body perturbation theory

P. Umari, Geoffrey Stenuit, Stefano Baroni

The calculation of quasi-particle spectra based on the GW approximation is extended to systems of hundreds of atoms, thus expanding the size range of current approaches by more tha…