@NikeDattani Ah thank you! Okay I think that the array size will be between 10^3 and 10^6 depending on the problem to be addressed, and while iterations is hard to guess ahead of time, for simulated annealing I can imagine 10^4 to 10^7.
Of course there will be correlation, the largest problems with the most atoms (largest array) will take the largest number of iterations to reach equilibrium and use the slowest "cool down" ramp in temperature (en.wikipedia.org/wiki/…)