Simulations: The dark side

By D. Frenkel. The European Physical Journal Plus, 2012

147 citations recorded by the source corpus.

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.

Subfields: Materials Chemistry, Physical and Theoretical Chemistry, Statistical and Nonlinear Physics

View Paper: https://www.semanticscholar.org/paper/2903df18512249f795976e579b0ed51febc47191