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加速量子材料发现:AI助力合成具奇异磁性行为的化合物
Ke Ji Ri Bao· 2025-09-23 08:52
Core Insights - A joint research team led by MIT has developed a new AI technology to accelerate the discovery of quantum materials, generating over 10 million candidates with Archimedean lattice characteristics [1][2] - The SCIGEN computational framework ensures that generative AI models adhere to user-defined geometric rules, addressing the limitations faced by existing models in identifying materials with exotic quantum properties [1][2] Group 1: Technology Development - The SCIGEN framework was integrated into a popular material generation model, targeting materials with Archimedean lattice structures, which are significant for inducing various quantum phenomena [1] - The method allows for the simulation of rare earth element electronic behaviors without relying on scarce resources, highlighting its potential applications [1] Group 2: Research Outcomes - The model generated over 10 million candidates, with approximately 1 million passing initial stability screening, and 26,000 selected for high-precision simulations at Oak Ridge National Laboratory [2] - 41% of the analyzed structures exhibited magnetic characteristics, indicating their value for further experimental exploration [2] - The research team successfully synthesized two previously undiscovered compounds, TiPdBi and TiPbSb, with their actual performance aligning closely with AI predictions, validating the method's feasibility and accuracy [2] Group 3: Implications for Research - This approach provides experimental scientists with hundreds of new candidates, significantly accelerating research progress and opening doors to numerous cutting-edge materials [2]