Despite their advantages, simulations in nanotechnology face several challenges:
Computational Resources: Simulating nanoscale systems often requires significant computational power and time, especially for large or complex systems. Accuracy and Validation: Ensuring that simulation results are accurate and validated against experimental data can be difficult. Discrepancies between simulations and real-world results need careful examination. Multiscale Modeling: Bridging the gap between different scales (e.g., atomic, molecular, and macroscopic) in a single simulation remains a complex task. Parameterization: Accurate input parameters are crucial for reliable simulations. Obtaining these parameters can be challenging, especially for new or less-understood materials.
