I'm looking for literature on the progression (year on year, or more fine-grained if possible) of Molecular Dynamics simulation sizes.

By simulation size I mean number of atoms, time step, total simulation time and the architecture it was executed on.

Bonus points if anyone knows of a similar database/list for consumer end hardware especially GPUs.

Thanks very much


1 Answer 1


To ask for a progression year-on-year or even more fine-grained is asking for a bit too much detail, I think. Available information is more coarse-grained. This paper reports a nine orders of magnitude progress in simulated timescales over three decades of molecular dynamics research on proteins in water.


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