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