What about the role of approximations

[Gionni]

It is certainly an advantage to solve the Schrödinger equation efficiently. But this requires some approximations. In turn, these may affect the prediction of material properties substantially.

[Cor Boelen]

Using these calculations as a start, to find promising materials can help speed up discoveries. It is then necessary to test the actual materials experimentally to understand the effects of the used approximations on the actual properties.

[Author]

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