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  • Emerging exascale architectures and systems will provide a sizable increase in raw computing power for science. To ensure the full potential of these new and diverse architectures, as well as the longevity and sustainability of science applications, we need to embrace software ecosystems as first-class citizens.

    • Lois Curfman McInnes
    • Michael A. Heroux
    • Katie Antypas
    Comment
  • Software is essential to computational science research, and yet it hasn’t achieved first-class status when it comes to citations. It’s time for all of us in the research community to change this behavior.

    Editorial
  • Jenea Adams, a second year PhD student, found it hard to connect with other Black women in her field of study. She then decided to create the Black Women in Computational Biology Network, which has attracted the support of many researchers. We spoke to her about the Network, as well as gender and racial inequality.

    • Fernando Chirigati
    • Ananya Rastogi
    Q&A
  • Over the past decade, the materials science community has fostered the development of materials databases from high-performance computation. While these databases have achieved great success, there are still several challenges to be addressed for the community to realize the full potential of the materials-by-design era.

    • M. K. Horton
    • S. Dwaraknath
    • K. A. Persson
    Comment
  • COVID-19 models have been extensively used to inform public health officials about potential interventions. Nevertheless, careful attention must be taken when extrapolating projections and parameters across different regions, as there is no one-size-fits-all model for the pandemic.

    • Rosalind M. Eggo
    • Jeanette Dawa
    • Zulma M. Cucunuba
    Comment
  • Computational and mathematical models are at the core of myriad research developments across different domains. We pay tribute to the importance of computational science by providing a dedicated home among the Nature portfolio for this inspiring field.

    Editorial
  • Detailed, accurate data related to a disease outbreak enable informed public health decision making. Given the variety of data types available across different regions, global data curation and standardization efforts are essential to guarantee rapid data integration and dissemination in times of a pandemic.

    • Moritz U. G. Kraemer
    • Samuel V. Scarpino
    • John S. Brownstein
    Comment