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The question is as follows:

Q) I currently simulate organic systems using the Molecular Dynamics (MD) program. Previously, I have used MD to simulate primarily Silicon and Boron interaction at relatively high energies which is fine with the classical approach used with MD. I was wondering what justification can be provided for modelling organic systems, with MD, where energies go down to fractions of eVs (~0.1 eV), for which quantum mechanical effects dominate? In short, MD is good for classical mechanics but how can it be justified for modelling certain systems that sometimes follow quantum mechanics OR is it ok to do this?

Thanks, appreciate it!