You can use simulators. However the problem is that if you're for example running material science experiments, those simulations will consume a lot of compute and take weeks, so spamming different approaches in the way an agent tends to work might not work quite as well.
Work for a manufacturing company, and we spend a lot of time creating surrogate models for physical simulations. Huge speed ups, 100-1000x possible. You end up still using the “real” simulation for validation, but you can run orders of magnitude more simulations for early design and refinement first.
Building "simulators" that use ML/AI instead of running the calculations every step is a thing.
Throw the research loop at the simulator first then