[R] Google DeepMind: 2.2 million new materials discovered using GNN (380k most stable, 736 already validated in labs)

(Reposting since the previous post was removed, I think because non-Arxiv posts are only allowed on weekends and now it's a weekend)

Materials discovery is critical but tough. New materials enable big innovations like batteries or LEDs. But there are \~infinitely many combinations to try. Testing for them experimentally is slow and expensive.

So scientists and engineers want to simulate and screen materials on computers first. This can check way more candidates before real-world experiments. However, models historically struggled at …

arxiv batteries big deepmind discovery gnn google google deepmind innovations labs machinelearning materials think