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

From the 1 of 51 linked papers with an AI index.

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19962026
most citedQuantum ESPRESSO: a modular and open-source software project for quantum simulations of materials

29.3k citations · 55.1k across the 51 of their papers we have counts for

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Showing 1997Show all

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cond-mat.mtrl-sci1997★ 46 cited

Structural and Electronic Properties of a Wide-gap Semiconductor Alloy: Zn_xMg_{1-x}S_ySe_{1-y}

Antonino Marco Saitta, Stefano de Gironcoli, Stefano Baroni

The structural properties of the solid solutions are determined by a combination of the computational alchemy and the cluster expansion methods with Monte…