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Friday, September 20, 2024

Breakthrough in Materials Science: Deep Learning Unlocks Over a Million New Materials to Revolutionize Industry and Innovation

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Research

Published
Authors

Amil Merchant and Ekin Dogus Cubuk

Introduction

AI has revolutionized the way we discover new materials, and a recent breakthrough in the field has opened up new possibilities for the development of sustainable technologies. Researchers have developed a new AI tool called GNoME, which has discovered 2.2 million new crystals, including 380,000 stable materials that could power future technologies.

Accelerating Materials Discovery with AI

In the past, scientists searched for novel crystal structures by tweaking known crystals or experimenting with new combinations of elements – an expensive, trial-and-error process that could take months to deliver even limited results. Over the last decade, computational approaches led by the Materials Project and other groups have helped discover 28,000 new materials. But up until now, new AI-guided approaches hit a fundamental limit in their ability to accurately predict materials that could be experimentally viable.

GNoME’s Discovery

GNoME’s discovery of 2.2 million materials would be equivalent to about 800 years’ worth of knowledge and demonstrates an unprecedented scale and level of accuracy in predictions. For example, 52,000 new layered compounds similar to graphene that have the potential to revolutionize electronics with the development of superconductors. Previously, about 1,000 such materials had been identified. We also found 528 potential lithium ion conductors, 25 times more than a previous study, which could be used to improve the performance of rechargeable batteries.

AI ‘Recipes’ for New Materials

The GNoME project aims to drive down the cost of discovering new materials. External researchers have independently created 736 of GNoME’s new materials in the lab, demonstrating that our model’s predictions of stable crystals accurately reflect reality. We’ve released our database of newly discovered crystals to the research community. By giving scientists the full catalog of the promising ‘recipes’ for new candidate materials, we hope this helps them to test and potentially make the best ones.

New Materials for New Technologies

To build a more sustainable future, we need new materials. GNoME has discovered 380,000 stable crystals that hold the potential to develop greener technologies – from better batteries for electric cars, to superconductors for more efficient computing.

Conclusion

Our research – and that of collaborators at the Berkeley Lab, Google Research, and teams around the world — shows the potential to use AI to guide materials discovery, experimentation, and synthesis. We hope that GNoME together with other AI tools can help revolutionize materials discovery today and shape the future of the field.

Frequently Asked Questions

Q: What is GNoME?

A: GNoME is a new AI tool developed by researchers that has discovered 2.2 million new crystals, including 380,000 stable materials that could power future technologies.

Q: How does GNoME work?

A: GNoME uses a state-of-the-art graph neural network (GNN) model to predict the stability of new materials. The model takes the form of a graph that can be likened to connections between atoms, which makes GNNs particularly suited to discovering new crystalline materials.

Q: What are the potential applications of GNoME?

A: GNoME has the potential to accelerate the discovery of new materials that could be used to develop greener technologies, such as better batteries for electric cars, superconductors for more efficient computing, and more.

Q: How does GNoME compare to other AI tools for materials discovery?

A: GNoME has demonstrated unprecedented scale and level of accuracy in predictions, discovering 2.2 million new materials, including 380,000 stable materials that could power future technologies.

Q: What is the future of materials discovery with AI?

A: We hope that GNoME together with other AI tools can help revolutionize materials discovery today and shape the future of the field, enabling the development of new sustainable technologies.

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