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The idea of stepping away completely from trial and error experiments and using a ‘map’ of materials is fantastic and probably a big dream of many material scientists. I think however that we are still very far away from this utopia since DFT still has a lot of flaws and does not always agree with experimentally determined parameters. Furthermore, the system sizes are often very limited and do not come close to being on the same scale as many real world materials. That being said, I believe this ‘map of materials’ is a valuable target to aim for in modern research in the hope that we will one day reach it.
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