Quantum-based material’s calculations are a simulation activity because, they rely on the simulation and solving through the numerical based calculation. As a matter of fact as said in the earlier topics, that the analytical solution for the quantum physics are hard to solve, but we can solve it through simulation by adding up various constraints and such.
On the otherside, people intuitively have the opposite opinion, and it’s obvious from their perspective, because the quantum seems abstract with the equations and formulas, which is bit unintuitive and one may surely doubt how we gonna fit this into the computer?