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The role of computational results databases in accelerating the discovery of catalysts

Nature Catalysisvolume 1pages809810 (2018) | Download Citation

Databases of computational results hold high promise for accelerating catalysis research. Still, many challenges remain and consensus on facets such as metadata, reliability and curation is crucial to transform the hype into an attractive technology.

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Author information

Affiliations

  1. Institute of Chemical Research of Catalonia, The Barcelona Institute of Science and Technology, Tarragona, Spain

    • Carles Bo
    • , Feliu Maseras
    •  & Núria López
  2. Universitat Rovira i Virgili, Departament de Química Física i Inorgànica, Tarragona, Spain

    • Carles Bo
  3. Universitat Autònoma de Barcelona, Departament de Química, Bellaterra, Spain

    • Feliu Maseras

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Corresponding author

Correspondence to Núria López.

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DOI

https://doi.org/10.1038/s41929-018-0176-4

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