What Are the Challenges in Using Computational Methods?
Despite their advantages, computational methods face several challenges:
Accuracy vs. Computational Cost: Balancing the accuracy of simulations with computational resources is a constant challenge. More accurate methods often require significant computational power. Complexity of Multiscale Systems: Nanoscale systems often involve multiple scales (spatial and temporal) that are difficult to model simultaneously. Data Availability: Machine learning approaches require large datasets, which are not always available for new or less-studied nanomaterials. Validation: Ensuring that computational predictions are accurate and reliable requires extensive validation against experimental data.
