We can always iterate on the model itself. So you can speculate on the physics (explore the space of physical models), and for each of those physical models, you can explore the space of materials

I have no idea about those actual models, but there are layers of models that you can create, and for each, you can explore with data and compute

It's not a free lunch though. Depending on the task, you might need to collect a lot of the data, or review it manually, or pay a lot for compute, or wait a lot for compute. And still have to iterate a lot on the results, and do your own explorations as a human operator/driver of the whole thing. And then create the materials, test them, get funding to do the whole thing... so theoretically, I think we are in a place where we can successfully apply models to a lot of things, but realistically, we won't be applying all the resources to everything