Inorganic synthesis-structure maps in zeolites with machine learning and crystallographic distances
Daniel Schwalbe‐Koda, Daniel E. Widdowson, Tuan Anh Pham, Vitaliy Kurlin
Abstract
Crystallographic representations and machine learning predict inorganic synthesis conditions for arbitrary zeolites, as validated with literature-mined data.
Topics & Concepts
CrystallographyMaterials scienceComputer scienceChemistryZeolite Catalysis and SynthesisMachine Learning in Materials ScienceX-ray Diffraction in Crystallography