I’m happy that our annual review article on “Advances in Density-Functional Calculations for Materials Modeling” is finally online: Annu. Rev. Mater. Res. 2019, 49, 1-30.
Great joint effort of mostly young research fellows describing the recent advances in density functional (DF) calculations for materials modeling. While progress has been very substantial, many challenges remain on the way to achieving consensus on a set of universally applicable DF-based methods. Hence, we focus on recent successes and remaining challenges in DF calculations for modeling hard solids, molecular and biological matter, low-dimensional materials, and hybrid organic-inorganic materials.
Advances in DFT for Materials Modeling