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Louis Boehm

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Preprint Aug 2026

FUCrIMODo: structure recovery from atomistic descriptors via multi-stage genetic algorithms

A generalizable, similarity-driven sampling approach, powered by a novel stage-wise optimization strategy, to recover atom types, atomic positions, and unit cell shapes directly from a descriptor without any prior structural knowledge is proposed.

Louis Boehm, M. Kuban, Claudia Draxl · 0 citations

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