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#materials-discovery News & Analysis

3 articles tagged with #materials-discovery. AI-curated summaries with sentiment analysis and key takeaways from 50+ sources.

3 articles
AIBullisharXiv – CS AI · 5d ago7/10
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EquiformerV3: Scaling Efficient, Expressive, and General SE(3)-Equivariant Graph Attention Transformers

EquiformerV3, an advanced SE(3)-equivariant graph neural network, achieves significant improvements in efficiency, expressivity, and generality for 3D atomistic modeling. The new version delivers 1.75x speedup, introduces architectural innovations like SwiGLU-S² activations and smooth-cutoff attention, and achieves state-of-the-art results on major molecular modeling benchmarks including OC20 and OMat24.

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AINeutralarXiv – CS AI · Mar 44/102
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Sustainable Materials Discovery in the Era of Artificial Intelligence

Researchers propose ML-LCA framework to integrate machine learning-based materials discovery with lifecycle assessment for sustainable-by-design materials. The framework addresses the current inefficiency where environmental impacts are evaluated only after resources are invested in potentially unsustainable solutions.