The statement that “quantum-based material’s calculations are a simulation activity, not a theoretical activity” is not entirely accurate. In the field of quantum materials, both simulation and theory play important roles in understanding and predicting the properties of materials at the quantum level.
In practice, theoretical and simulation activities often go hand in hand. Theoretical models provide the foundation for simulations, and simulations help validate and refine theoretical concepts. The combination of theory and simulation enables scientists to make predictions, interpret experimental results, and guide the design of new materials with specific properties.