Despite their importance, force fields have several limitations:
Accuracy: Force fields are often parameterized based on empirical data or quantum mechanical calculations. This can lead to inaccuracies, especially for complex systems or those involving exotic elements. Transferability: A force field optimized for one type of system may not perform well for another. This lack of transferability can limit their applicability across different materials and conditions. Computational Cost: High-accuracy force fields, such as those including many-body interactions, can be computationally expensive, limiting their use in large-scale simulations. Parameterization: Developing new force fields is a time-consuming process that requires extensive data and validation. This can be a significant bottleneck in the field.
