We want to do computer experiments instead of real life experiments to discover or improve chemicals and materials. The current way of doing computer experiments is really really slow and takes a lot of computers. We now have much faster ways of doing the same computer experiments by first doing it the slow way a bunch of time to train an machine learning model. Then, with the trained model, we can do the same simulations but way way faster. Along the way there are tons of technical challenges that don't show up in LLMs or Visual machine learning.
If there is anything unclear you're interested in just let know. In my heart I feel I'm still just a McDonald's fry cook and feel like none of this is as scary as it might seem :)
