Calculations as a roadmap

[jnunez]

Of course the computational approach can be used as a ‘roadmap’ for exploring the properties of materials as far as we are aware that the actual materials can have peculiarities that currently cannot be fully described by calculation alone.

In some sense, for certain ‘well behaved’ properties ‘the design of new materials from thought’ is already a reality but in the vast majority of physical/chemical properties there is still a lot of work to do (theory, software, approaches, …)

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