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Materials modelling

The frontiers and the challenges

Materials simulations have become a dominant force in the world of science and technology. The intellectual challenges lying ahead to sustain such a paradigm shift are discussed.

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Figure 1: Electrical resistivity of graphene as a function of temperature and doping (ρ, electrical resistivity; T, temperature; n, carrier density).

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Correspondence to Nicola Marzari.

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Marzari, N. The frontiers and the challenges. Nature Mater 15, 381–382 (2016). https://doi.org/10.1038/nmat4613

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