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

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. Computer Physics Communications, 184(8):1827-1833, 2013. [doi]

@article{VariniCMGC13,
  title = {Enhancement of DFT-calculations at petascale: Nuclear Magnetic Resonance, Hybrid Density Functional Theory and Car-Parrinello calculations},
  author = {Nicola Varini and Davide Ceresoli and Layla Martin-Samos and Ivan Girotto and Carlo Cavazzoni},
  year = {2013},
  doi = {10.1016/j.cpc.2013.03.003},
  url = {http://dx.doi.org/10.1016/j.cpc.2013.03.003},
  researchr = {https://researchr.org/publication/VariniCMGC13},
  cites = {0},
  citedby = {0},
  journal = {Computer Physics Communications},
  volume = {184},
  number = {8},
  pages = {1827-1833},
}