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cond-mat.mtrl-sci2026
Systematic Study of Machine Learning Classification Algorithms of Zeolitic Imidazolate Framework Polymorphs
Emilio Méndez, Emilio Méndez, Léna Triestram +6
Zeolitic Imidazolate Frameworks (ZIFs) are a family of metal--organic frameworks that feature metal centers tetrahedrally linked to imidazole-based ligands and adopt zeolite-like t…
cond-mat.mtrl-sci2025
Computer Simulation of the Growth of a Metal-Organic Framework Proto-crystal at Constant Chemical Potential
Sahar Andarzi Gargari, Emilio Méndez, Rocio Semino
Designing metal-organic frameworks (MOFs) synthesis protocols is currently largely driven by trial-and-error, since we lack fundamental understanding of the molecular level mechani…