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Open for Submissions Publishing high-quality research on computational approaches for designing materials. npj Computational Materials is a fully open-access journal that aims to applying computational techniques for the design of new materials, and for enhancing our understanding of existing ones. npj Computational Materials covers topics including, but not limited to, the application and development of existing and emerging theoretical and simulation approaches for the study of materials, structure and property prediction of new materials, experimental works that serve to validate, support and extend computational findings, and high-throughput techniques for large data set generation and materials data mining. In addition to original research, the journal welcomes critical Reviews, and thought-provoking Perspectives and Comment articles.