density functional theory 1electronic structure 1high-performance computing 1open-source software 1plane-wave methods 1pseudopotentials 1
From the 1 of 93 linked papers with an AI index.
29.3k citations · 50.4k across the 93 of their papers we have counts for
Showing 2017 · cond-mat.mtrl-sciShow all
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cond-mat.mtrl-sci2017★ 119 cited
From colossal to zero: Controlling the Anomalous Hall Effect in Magnetic Heusler Compounds via Berry Curvature Design
Kaustuv Manna, Lukas Muechler, Ting-Hui Kao +12
Since the discovery of the anomalous Hall effect (AHE), the anomalous Hall conductivity (AHC) has been thought to be zero when there is no net magnetization. However, the recently…
cond-mat.mtrl-sci2017★ 7.7k cited
Advanced capabilities for materials modelling with Quantum ESPRESSO
P. Giannozzi, O. Andreussi, T. Brumme +47
Quantum ESPRESSO is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the art electronic-structure techniques, based on density-…