Evans, DenisSearles, Debra2015-12-130001-8732http://hdl.handle.net/1885/91697The question of how reversible microscopic equations of motion can lead to irreversible macroscopic behaviour has been one of the central issues in statistical mechanics for more than a century. The basic issues were known to Gibbs. Boltzmann conducted aKeywords: Computer simulation; Equations of motion; Molecular dynamics; Numerical methods; Probability; Theorem proving; Fluctuation theorem; Second law of thermodynamics; Thermostating; Statistical mechanics200210.1080/000187302101551332015-12-12