And not a word about machine learning. Sounds like density functional theory is the numerical model here. I don’t have access to the full article, but if you te

And not a word about machine learning. Sounds like density functional theory is the numerical model here. I don’t have access to the full article, but if you tell me it’s numerical optimization on a DFT objective, then that makes sense, but it’s not ML. If you tell me it’s machine learning, then I’ll be confused and ask you how you measured all those millions/billions of quantum states to get the training data. And, like, why are you using a ML model when the physical model (DFT) is known? Are you saying that you used ML to speed up simulation? Is this an ML paper or a materials science paper or maybe something about global warming? I’m confused.