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"Enhancement of DFT-calculations at petascale: Nuclear Magnetic Resonance, ..."

Nicola Varini et al. (2013)

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DOI: 10.1016/J.CPC.2013.03.003

access: closed

type: Journal Article

metadata version: 2023-09-30

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  - https://dblp.org/rec/journals/cphysics/VariniCMGC13
Nicola Varini, Davide Ceresoli, Layla Martin-Samos, Ivan Girotto, Carlo Cavazzoni:
Enhancement of DFT-calculations at petascale: Nuclear Magnetic Resonance, Hybrid Density Functional Theory and Car-Parrinello calculations. Comput. Phys. Commun. 184(8): 1827-1833 (2013)

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