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

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 accurately predicting if materials are stable.

Researchers at DeepMind made a system called GNoME that uses graph neural networks and active learning …

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