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

From the 1 of 22 linked papers with an AI index.

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19952026
most citedQuantum ESPRESSO: a modular and open-source software project for quantum simulations of materials

29.3k citations · 37.7k across the 22 of their papers we have counts for

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cond-mat.mtrl-sci2023★ 28 cited

Spin-Flop Ordering from Frustrated Ferro- and Antiferromagnetic Interactions: A Combined Theoretical and Experimental Study of a Monolayer

C. Grazioli, Dario Alfè, S. R. Krishnakumar +8

The occurrence of a noncollinear magnetic structure at a Mn monolayer grown epitaxially on Fe(100) is predicted theoretically, using spinor density-functional theory, and observed…