Chuck-Hou Yee edited outlook.tex  over 7 years ago

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\section{Outlook}  For materials containing atoms with partially-filled $d$ or $f$ shells, it's clear that correlations are important in all three stages of the materials design process. As compared to the theory for weakly-correlated materials, the current frameworks for strongly-correlated materials are not truly \emph{ab initio}. For example, DFT+DMFT requires the selection of a suitable value of the local coulomb repulsion $U$ and Hund's coupling $J$, as well as corrections related to subtracting out the Hartree component of the electron-electron interaction already counted in the LDA approximation. These additional complexities mean imply the  field is open for new ideas and algorithms. The many layers of complexity of modeling correlated materials means that robust algorithms which are capable of automatically handling that complexity are crucial to the user. For example, the selection of reasonable local axes for the correlated atoms for a given atom should be automatic, leaving the user to focus on the physics. The development of user-friendly codes where much of the technical nitty-gritties have been abstracted away from the end-user via robust algorithms is crucial for lowering the barrier to entry for the design of correlated materials. An open source project focused on advancing and developing these tools with a focus on the strong correlation aspects of materials has recently been launched. [Gabi, please provide reference here.] Combined with close feedback between theory and experiment, we believe the design of correlated materials will rapidly mature in the near future.