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Artificial intelligence

GNoME — AI for materials

A quartz crystal — the kind of ordered solid materials models try to explore faster than trial-and-error
Image: Sanjay Acharya ( CC BY-SA 3.0 )
Artificial intelligence Research

What it is

GNoME (Graph Networks for Materials Exploration), from DeepMind with Berkeley collaborators, used graph networks and existing materials databases to predict a very large set of potentially stable inorganic crystals (2023). Some predictions were later synthesized. That is a search tool, not a finished battery.

Problem it targets

Better catalysts, electrodes, and membranes are bottlenecked by how slowly humans try recipes. If climate tech needs new solids, faster screening matters — after the wet lab confirms them.

How it works

The model scores stability and, with other tools, properties. High-throughput computation and robot labs can test a slice. Most predicted crystals will be useless, unstable in air, or already known under another name. That is normal for search.

Status and players

Google DeepMind; Lawrence Berkeley National Laboratory / Materials Project; other foundation-model materials groups (Microsoft, Meta, academic labs).

Risks and limits

Paper-count inflation, “AI discovered a superconductor” headlines, and skipping toxicity and scale-up. A predicted Li-ion cathode is not a gigafactory.

Sources

Merchant et al., Nature, 2023 (GNoME); Materials Project documentation; commentary in Nature news on how many structures were new versus already in databases.