most citedPowder Diffraction Crystal Structure Determination Using Generative Models

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cs.CE2026

PhaseMatcher: Autoregressive Phase-Set Identification with Spectral Decomposition

Zhonglong Peng, Qiuliang Liu, Chang Chen +5

Recovering complete phase sets from powder X-ray diffraction (PXRD) is challenging when weak-phase peaks overlap stronger signals. A natural strategy is to identify phases iterativ…