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20132025
most citedEnhancement of DFT-calculations at Petascale: Nuclear Magnetic Resonance, Hybrid Density Functional Theory and Car-Parrinello calculations

49 citations · 77 across the 7 of their papers we have counts for

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cond-mat.mtrl-sci2013★ 49 cited

Enhancement of DFT-calculations at Petascale: Nuclear Magnetic Resonance, Hybrid Density Functional Theory and Car-Parrinello calculations

Nicola Varini, Davide Ceresoli, Layla Martin-Samos +2

One of the most promising techniques used for studying the electronic properties of materials is based on Density Functional Theory (DFT) approach and its extensions. DFT has been…