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Strategies for accelerating the adoption of materials informatics

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Abstract

Ongoing, rapid innovations in fields ranging from microelectronics, aerospace, and automotive to defense, energy, and health demand new advanced materials at even greater rates and lower costs. Traditional materials R&D methods offer few paths to achieve both outcomes simultaneously. Materials informatics, while a nascent field, offers such a promise through screening, growing databases of materials for new applications, learning new relationships from existing data resources, and building fast predictive models. We highlight key materials informatics successes from the atomic-scale modeling community, and discuss the ecosystem of open data, software, services, and infrastructure that have led to broad adoption of materials informatics approaches. We then examine emerging opportunities for informatics in materials science and describe an ideal data ecosystem capable of supporting similar widespread adoption of materials informatics, which we believe will enable the faster design of materials.

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Acknowledgments

B.B., I.F., and L.W. were supported by financial assistance Award 70NANB14H012 from the US Department of Commerce, National Institute of Standards and Technology as part of the Center for Hierarchical Material Design (CHiMaD), by the National Science Foundation as part of the Midwest Big Data Hub under NSF Award No. 1636950 “BD Spokes: SPOKE: MIDWEST: Collaborative: Integrative Materials Design (IMaD): Leverage, Innovate, and Disseminate,” and by the US Department of Energy Contract DE-AC02-06CH11357.

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Authors and Affiliations

  1. The University of Chicago, and Data Science and Learning Division, Argonne National Laboratory, USA

    Logan Ward & Ben Blaiszik

  2. Toyota Research Institute, USA

    Muratahan Aykol & Santosh Suram

  3. Department of Computer Science, The University of Chicago, and Data Science and Learning Division, Argonne National Laboratory, USA

    Ian Foster

  4. Citrine Informatics, USA

    Bryce Meredig

  5. QuesTek Innovations LLC, USA

    James Saal

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  1. Logan Ward
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Correspondence to Logan Ward.

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Ward, L., Aykol, M., Blaiszik, B. et al. Strategies for accelerating the adoption of materials informatics. MRS Bulletin 43, 683–689 (2018). https://doi.org/10.1557/mrs.2018.204

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