Theory or Simulation?

[YJK625]

Quantum-based material calculations are considered simulation because they use established theoretical equations to mimic real-world physical behavior on a computer rather than deriving new fundamental laws. Instead of using analytical proofs, researchers input specific atomic structures and run numerical experiments to observe how the system evolves. Some people might claim that it is theoretical because it uses quantum mechanics and mathematical models without involving physical laboratory equipment. The heavy reliance on complex algorithms and equations creates an association with traditional theoretical physics.

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