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Questions relating to the discipline of statistical thermodynamics.

14 votes

Why do people care about reversibility in molecular dynamics simulations?

I would argue the main reason this is important is philosophical, linked to the history of science and determinism (as proposed by Laplace). Newtonian mechanics is mathematically reversable while any …
Ed Smith's user avatar
  • 290
5 votes

References for Molecular Dynamics?

Also worth mentioning Bill Hoover's excellent textbooks, Molecular Dynamics which provide an introduction and a slightly different perspective on molecular dynamics, along with Computational Statistic …
Ed Smith's user avatar
  • 290