Preprint
Oct 2026
Capturing Coordination Core Topology in Metal--Organic Frameworks Using Persistent Mayer Homology
Local coordination cores are critically important in metal-organic frameworks (MOFs) and polyoxometalates (POMs), as they govern the fundamental chemical and structural properties of these materials. Existing methods, including element-resolved persistent homology (ERPH), have limited ability to translate local coordin...
Caleb Simiyu Khaemba, Chun-Long Chen, Guo-Wei Wei
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