Aims & Scope

Aims & Scope

npj Computational Materials is an online only, fully open access journal dedicated to publishing original results, review articles, and editorials on materials by design and integrated computational and experimental materials research.

Topics of interest to the journal include, but not limited to the following:

  • Materials by design: design or discovery of materials (with new chemistry, new atomic/electronic structures, new microstructures/heterostructures, new defect structures, or new or dramatically enhanced properties under external constraints) guided by theory, computation, and data mining
  • Experimental synthesis, characterization, and applications of materials by design
  • Integrated experimental and computational studies of materials
  • Computational and data mining tools for materials by design
  • Experimental synthesis and characterization tools for generating materials data
  • Materials data generation and data mining
  • Significantly new or enhanced understanding of a material through theory and computation.

The journal will also publish a professionally written Editorial Summary to accompany each Article, which will summarise the key issues being addressed within the full article.