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Synergistic science

Should computational materials science be recognized as a field with a role in the community comparable to computational physics or chemistry? With the emergence of multiscale modelling, the answer is a resounding 'yes'.

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Figure 1: Melting curve of crystal argon.
Figure 2: Molecular dynamics simulation of dislocation nucleation.
Figure 3: Dislocation microstructure formed by two crack tips, visible as notches at the top and the bottom, as they move toward each other12.

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Acknowledgements

I thank D. Wolf, F. Abraham, A. S. Argon, V. Bulatov, L. Kubin, J. S. Langer, T. A. Tombrello and S. Suresh for sharing with me their insights on simulation and materials research, and many collaborators, especially J. Li, M. de Koning and K. Van Vliet, for recent work leading to the views expressed here. I also thank A. M. Stoneham for correspondence on materials modelling perspectives and assessments.

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Yip, S. Synergistic science. Nature Mater 2, 3–5 (2003). https://doi.org/10.1038/nmat778

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