Home Forums setting the stage theory versus computation Theory vs simulation

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    Natalia1445
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    “Quantum-based material’s calculations are a simulation activity, not a theoretical activity.”
    It i true because we are applying the theory not developeing the theory of quantum chemistry or calculations behind it but rather using them to predict the properties of a material and try to understand it.
    The oposite:
    But you are not doing any experimental work, you just use the computer, it is pure theorical.

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