Microsoft Research has released a revolutionary AI system called MatterGen, which can generate new materials based on specific properties and is expected to significantly accelerate the research and development of key technologies such as batteries and solar panels. MatterGen subverts the traditional method of discovering new materials. It no longer relies on screening massive amounts of existing compounds, but directly generates new materials based on required properties, just as efficiently and conveniently as an AI image generator generates images based on text descriptions. This breakthrough technology will have a profound impact on energy storage and computing, and is expected to drive the popularity of electric vehicles and reduce the cost of renewable energy.
The launch of MatterGen marks a fundamental change in the way scientists discover new materials. Unlike traditional methods, instead of screening millions of existing compounds, MatterGen directly generates new materials based on desired properties, similar to how an AI image generator creates a picture from a text description.
MatterGen uses a special AI model called a diffusion model, similar to image generators such as DALL-E, but adapted to work with three-dimensional crystal structures. The system incrementally improves random atomic arrangements, resulting in useful materials that are stable and meet specified criteria. Research shows that materials generated by MatterGen are "15 times more likely to be novel and stable, and 15 times closer to local energy minima" than previous AI methods. This means that the resulting materials are not only more likely to be practical, but also physically easier to implement.
In a striking demonstration, the Microsoft team collaborated with scientists from China's Shenzhen Institute of Advanced Technology to synthesize a new material, TaCr2O6, that was very close to MatterGen's design results, verifying the practical application value of the system. MatterGen is particularly flexible and can be “fine-tuned” to produce materials with specific crystal structures and electronic or magnetic properties based on specific needs. This property will be particularly important when designing materials for specific industrial applications.
Potential applications of this technology could transform the fields of energy storage and computing. The development of new materials is critical to advancing energy storage, semiconductor design and carbon capture technology. For example, improved battery materials could accelerate the adoption of electric vehicles, while more efficient solar cell materials could make renewable energy more affordable.
To accelerate scientific discovery, Microsoft has released MatterGen's source code under an open source license so that researchers around the world can innovate on this basis. MatterGen was developed as part of Microsoft's "Artificial Intelligence and Science" initiative, which aims to use AI to accelerate scientific discovery. In addition, MatterGen integrates with Microsoft's Azure Quantum Elements platform to provide cloud computing services to enterprises and researchers.
However, experts also caution that while MatterGen represents an important advance, extensive testing and improvements are still needed to move computationally designed materials into practical applications. Although the predicted results of this system are encouraging, they still need to be experimentally verified before industrial application. Nonetheless, MatterGen's technological development is undoubtedly an important step in using AI to accelerate scientific discovery.
Blog: https://www.microsoft.com/en-us/research/publication/mattergen-a-generative-model-for-inorganic-materials-design/
Highlight:
**MatterGen is a new AI system capable of generating new materials based on specific needs, potentially accelerating technology development. **
** This system uses a diffusion model to generate stable materials with a success rate that is 15 times higher than before. **
** Microsoft makes this technology open source to promote innovation and collaboration in global scientific research. **
In short, the emergence of MatterGen marks a revolution in the field of materials science. Its open source nature will further promote global scientific research cooperation, accelerate the development and application of new materials, and inject new vitality into future scientific and technological development. We look forward to seeing MatterGen being widely used in various fields and contributing to a better future for mankind.