The classical potential MD method is much less computationally costly compared to the highly accurate quantum-mechanical method.
Thus, the method is capable of performing structural optimizations on large systems and MD calulations may be used to model a system over long time scales.
The classical potential MD method is much less computationally costly compared to the highly accurate quantum-mechanical method.
Thus, the method is capable of performing structural optimizations on large systems and MD calulations may be used to model a system over long time scales.