Despite their power, simulations in nanotechnology face several challenges: - Computational Cost: Simulating systems at the atomic level requires significant computational resources. - Accuracy: Ensuring that the models accurately represent real-world systems can be difficult. - Scale: Bridging the gap between different scales (e.g., atomic to macroscopic) remains a challenge. - Complexity: Nanotechnology often involves complex, multi-component systems that are difficult to model comprehensively.