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Showing 1–3 of 3 results
Advanced filters: Author: Evan W. C. Spotte-Smith Clear advanced filters

  • Materials design and informatics have become increasingly prominent over the past several decades. Using the Materials Project as an example, this Perspective discusses how properties are calculated and curated, how this knowledge can be used for materials discovery, and the challenges in modelling complex material systems or managing software architecture.

    • Matthew K. Horton
    • Patrick Huck
    • Kristin A. Persson
    Reviews
    Nature Materials
    Volume: 24, P: 1522-1532

  • Chemical reaction networks are widely used to examine the behavior of chemical systems. While diverse strategies exist for chemical reaction network construction and analysis for a wide range of scientific goals, data-driven and machine learning methods must continue to capture increasingly complex phenomena to overcome existing unmet challenges.

    • Mingjian Wen
    • Evan Walter Clark Spotte-Smith
    • Kristin A. Persson
    Reviews
    Nature Computational Science
    Volume: 3, P: 12-24