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Refers to the modeling of molecular systems with classical mechanics (e.g. Hooke's Law).

8 votes

Why can MD simulations not handle "exotic" materials?

By molecular dynamics, I assume you mean molecular dynamics using force-fields (a.k.a. Classical Molecular Dynamics). Remember that there is also ab initio MD. Force fields are parameterised, i.e. the …
S R Maiti's user avatar
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