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

From the 1 of 10 linked papers with an AI index.

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20082018
most citedQuantum ESPRESSO: a modular and open-source software project for quantum simulations of materials

29.3k citations · 29.5k across the 10 of their papers we have counts for

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Showing 2013Show all

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cond-mat.mes-hall2013★ 20 cited

Efficient DFT+U calculations of ballistic electron transport: Application to Au monatomic chains with a CO impurity

Gabriele Sclauzero, Andrea Dal Corso

An efficient method for computing the Landauer-Buettiker conductance of an open quantum system within DFT+U is presented. The Hubbard potential is included in electronic structure…