MatterGen
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Related Articles from SNS
How Far Can You Grow? Characterizing the Extrapolation Frontier of Graph Generative Models for Materials Science
Announce Type: replace-cross Abstract: Every generative model for crystalline materials harbors a critical structure size beyond which its outputs become unreliable; we call this the extrapolation frontier. Despite its consequences for nanomaterial design, this frontier has never been systematically measured. We introduce RADII, a radius-resolved benchmark of ~75,000 crystal-derived nanoparticle structures (33-11,298 atoms) that treats radius as a continuous scaling knob, tracing generation...
How Far Can You Grow? Characterizing the Extrapolation Frontier of Graph Generative Models for Materials Science
Announce Type: replace-cross Abstract: Every generative model for crystalline materials harbors a critical structure size beyond which its outputs become unreliable; we call this the extrapolation frontier. Despite its consequences for nanomaterial design, this frontier has never been systematically measured. We introduce RADII, a radius-resolved benchmark of ~75,000 crystal-derived nanoparticle structures (33-11,298 atoms) that treats radius as a continuous scaling knob, tracing generation...