DFTK: A Julian approach for simulating electrons in solids

@article{Herbst2021DFTKAJ,
  title={DFTK: A Julian approach for simulating electrons in solids},
  author={Michael F. Herbst and Antoine Levitt and Eric Canc{\`e}s},
  journal={JuliaCon Proceedings},
  year={2021}
}
Density-functional theory (DFT) is a widespread method for simulating the quantum-chemical behaviour of electrons in matter. It provides a first-principles description of many optical, mechanical and chemical properties at an acceptable computational cost [16, 2, 3]. For a wide range of systems the obtained predictions are accurate and shortcomings of the theory are by now wellunderstood [2, 3]. The desire to tackle even bigger systems and more involved materials, however, keeps posing novel… 

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