What is the relationship between physical entropy and information? Well, according to this, https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.123.178102, also available as a preprint, https://arxiv.org/pdf/1709.10164.pdf, and the press release from Tel Aviv University turning up here and there, you can compute an accurate estimate of the physical entropy of a molecular dynamics simulation by running zip compression on the coordinate trajectories of the simulation and looking at the compression achieved.
This makes perfect sense and it's amazing it took us this long to figure it out. -- rec --
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