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

From the 1 of 157 linked papers with an AI index.

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19992026
most citedQuantum ESPRESSO: a modular and open-source software project for quantum simulations of materials

29.3k citations · 47.2k across the 105 of their papers we have counts for

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Showing 2003 · cond-mat.mes-hallShow all

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cond-mat.mes-hall2003

Ab-initio transport properties of nanostructures from maximally-localized Wannier functions

Arrigo Calzolari, Nicola Marzari, Ivo Souza +1

We present a comprehensive first-principles study of the ballistic transport properties of low dimensional nanostructures such as linear chains of atoms (Al, C) and carbon nanotube…