Despite its advantages, computational design in nanotechnology faces several challenges:
Computational Cost: High-fidelity simulations require significant computational resources, which can be expensive and time-consuming. Accuracy of Models: The accuracy of computational predictions depends on the quality of the models and assumptions used. Inaccurate models can lead to erroneous predictions. Complexity: The behavior of nanomaterials can be extremely complex, requiring sophisticated algorithms and methods to accurately simulate their properties.
