..or can we?
Humour me for a moment. Maybe simulating to the degree that was necessary for cutting edge work was not possible earlier, when humans had to program each and every thing in the system that could affect the result. But with current gen petaflop-on-your-desk level compute + swarms of agents that can work tirelessly to account for every known thing to humanity, maybe the threshold has been pushed far enough to produce some more meaningful discovery work in simulation?
Let's put it this way - a first year graduate student can ignite a fusion target in simulations. It took thousands of scientists the better part of three decades to do that in experiments. I think agents could do the former really efficiently and at scale, but I'm skeptical that agents could do the latter. Oh, and btw, fusion simulations of the kind you're talking are in exa-zettaflop territory ;)