Eur. Phys. J. Plus (2013) 128: 10
https://doi.org/10.1140/epjp/i2013-13010-8

Regular Article

Simulations: The dark side

Department of Chemistry, University of Cambridge, CB2 1EW, Cambridge, UK

^* e-mail: df246@cam.ac.uk

Received: 24 October 2012
Accepted: 27 December 2012
Published online: 25 January 2013

Abstract

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.