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The 2019 materials by design roadmap

Publication ,  Journal Article
Alberi, K; Nardelli, MB; Zakutayev, A; Mitas, L; Curtarolo, S; Jain, A; Fornari, M; Marzari, N; Takeuchi, I; Green, ML; Kanatzidis, M; Lany, S ...
Published in: Journal of Physics D: Applied Physics
January 2, 2019

Advances in renewable and sustainable energy technologies critically depend on our ability to design and realize materials with optimal properties. Materials discovery and design efforts ideally involve close coupling between materials prediction, synthesis and characterization. The increased use of computational tools, the generation of materials databases, and advances in experimental methods have substantially accelerated these activities. It is therefore an opportune time to consider future prospects for materials by design approaches. The purpose of this Roadmap is to present an overview of the current state of computational materials prediction, synthesis and characterization approaches, materials design needs for various technologies, and future challenges and opportunities that must be addressed. The various perspectives cover topics on computational techniques, validation, materials databases, materials informatics, high-throughput combinatorial methods, advanced characterization approaches, and materials design issues in thermoelectrics, photovoltaics, solid state lighting, catalysts, batteries, metal alloys, complex oxides and transparent conducting materials. It is our hope that this Roadmap will guide researchers and funding agencies in identifying new prospects for materials design.

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Published In

Journal of Physics D: Applied Physics

DOI

EISSN

1361-6463

ISSN

0022-3727

Publication Date

January 2, 2019

Volume

52

Issue

1

Related Subject Headings

  • Applied Physics
  • 51 Physical sciences
  • 40 Engineering
  • 09 Engineering
  • 02 Physical Sciences
 

Citation

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Chicago
ICMJE
MLA
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Alberi, K., Nardelli, M. B., Zakutayev, A., Mitas, L., Curtarolo, S., Jain, A., … Perkins, J. (2019). The 2019 materials by design roadmap. Journal of Physics D: Applied Physics, 52(1). https://doi.org/10.1088/1361-6463/aad926
Alberi, K., M. B. Nardelli, A. Zakutayev, L. Mitas, S. Curtarolo, A. Jain, M. Fornari, et al. “The 2019 materials by design roadmap.” Journal of Physics D: Applied Physics 52, no. 1 (January 2, 2019). https://doi.org/10.1088/1361-6463/aad926.
Alberi K, Nardelli MB, Zakutayev A, Mitas L, Curtarolo S, Jain A, et al. The 2019 materials by design roadmap. Journal of Physics D: Applied Physics. 2019 Jan 2;52(1).
Alberi, K., et al. “The 2019 materials by design roadmap.” Journal of Physics D: Applied Physics, vol. 52, no. 1, Jan. 2019. Scopus, doi:10.1088/1361-6463/aad926.
Alberi K, Nardelli MB, Zakutayev A, Mitas L, Curtarolo S, Jain A, Fornari M, Marzari N, Takeuchi I, Green ML, Kanatzidis M, Toney MF, Butenko S, Meredig B, Lany S, Kattner U, Davydov A, Toberer ES, Stevanovic V, Walsh A, Park NG, Aspuru-Guzik A, Tabor DP, Nelson J, Murphy J, Setlur A, Gregoire J, Li H, Xiao R, Ludwig A, Martin LW, Rappe AM, Wei SH, Perkins J. The 2019 materials by design roadmap. Journal of Physics D: Applied Physics. 2019 Jan 2;52(1).
Journal cover image

Published In

Journal of Physics D: Applied Physics

DOI

EISSN

1361-6463

ISSN

0022-3727

Publication Date

January 2, 2019

Volume

52

Issue

1

Related Subject Headings

  • Applied Physics
  • 51 Physical sciences
  • 40 Engineering
  • 09 Engineering
  • 02 Physical Sciences