Accelerated data-driven materials science with the Materials Project

Horton, Matthew K.;Huck, Patrick;Yang, Ruo Xi;Munro, Jason M.;Persson, Kristin A.;et.al.
(2025) Nature Materials — Vol. 24, n° 10, p. 1522-1532 (2025)

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Authors
  • Horton, Matthew K.Materials Science Division, Lawrence Berkeley National Laboratory, Berkeley, CA, USA
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  • Huck, Patrickorcid-logoMaterials Science Division, Lawrence Berkeley National Laboratory, Berkeley, CA, USA
    Author
  • Yang, Ruo Xiorcid-logoMaterials Science Division, Lawrence Berkeley National Laboratory, Berkeley, CA, USA
    Author
  • Munro, Jason M.Materials Science Division, Lawrence Berkeley National Laboratory, Berkeley, CA, USA
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  • Rignanese, Gian-Marcoorcid-logoUCLouvain
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  • Petretto, Guidoorcid-logoUCLouvain
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  • Persson, Kristin A.orcid-logoMaterials Science Division, Lawrence Berkeley National Laboratory, Berkeley, CA, USA
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Abstract
The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.
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Horton, M. K., Huck, P., Yang, R. X., Munro, J. M., Dwaraknath, S., Ganose, A. M., Kingsbury, R. S., Wen, M., Shen, J. X., Mathis, T. S., Kaplan, A. D., Berket, K., Riebesell, J., George, J., Rosen, A. S., Spotte-Smith, E. W. C., McDermott, M. J., Cohen, O. A., Dunn, A., et al. (2025). Accelerated data-driven materials science with the Materials Project. Nature Materials, 24(10), 1522-1532. https://doi.org/10.1038/s41563-025-02272-0 (Original work published 2025)