6 ms·
Not sure if it's what you're looking for, but https://en.m.wikipedia.org/wiki/Monte_Carlo_molecular_modeling https://en.m.wikipedia.org/wiki/Monte_Carlo_molecul
by dtjohnnyb 6y ago
Not sure if it's what you're looking for, but https://en.m.wikipedia.org/wiki/Monte_Carlo_molecular_modeling https://en.m.wikipedia.org/wiki/Monte_Carlo_molecular_modeli... has a long history and technologies around it, might hold some inspiration at least.
Chandler's statistical mechanics book might be a good place to start to dig deeper