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Density functional theory (DFT) has become a routine tool for the computation of electronic structure in the physics, materials and chemistry fields. Yet the application of traditional DFT to problems in the biological sciences is hindered, to a large extent, by the unfavourable scaling of the computational effort with system size. Here, we review some of the major software and functionality advances that enable insightful electronic structure calculations to be performed on systems comprisingdoi:10.1088/0953-8984/28/39/393001 pmid:27494095 fatcat:g4tr55fpejcz7fd7tqewcanetq