Regular Article

The European Physical Journal Plus

, 128:10

First online:

Simulations: The dark side

  • D. FrenkelAffiliated withDepartment of Chemistry, University of Cambridge Email author 

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This paper discusses the Monte Carlo and Molecular Dynamics methods. Both methods are, in principle, simple. However, simple does not mean risk-free. In the literature, many of the pitfalls in the field are mentioned, but usually as a footnote --and these footnotes are scattered over many papers. The present paper focuses on the “dark side” of simulation: it is one big footnote. I should stress that “dark”, in this context, has no negative moral implication. It just means: under-exposed.