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Simulations: The dark side
D. Frenkel
195 - 227
10.3254/978-1-61499-278-3-195
Proceedings of the International School of Physics "Enrico Fermi"
Volume 184: Physics of Complex Colloids
Abstract

This paper discusses the Monte Carlo 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.

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