Survey of RLM adoption in 28 disciplines reveals maturity disparities via a new assessment framework, with focus on development, evaluation, and public resources.
Antunes, Keith T
4 Pith papers cite this work. Polarity classification is still indexing.
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deCIFer trains an autoregressive LM on 2.3 million structures with synthetic PXRD noise to generate CIF files, reporting 94% structural match rate on synthetic inorganic test sets.
Hybrid two-stage optimization framework uses AI for peak/density tasks and physics constraints for robust PXRD crystal structure solving on complex or low-quality cases.
A survey of generative crystal modeling, multimodal learning, and closed-loop inverse design pipelines for crystalline solids, including failure modes and evaluation practices.
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deCIFer: Crystal Structure Prediction from Powder Diffraction Data using Autoregressive Language Models
deCIFer trains an autoregressive LM on 2.3 million structures with synthetic PXRD noise to generate CIF files, reporting 94% structural match rate on synthetic inorganic test sets.