Discovery of Correlated Electron Molecular Orbital Materials using Graph Representations

Akhond, Md. Rajbanul [Department of Chemistry, 800 East Kirkwood Avenue, Indiana University, Bloomington, Indiana 47405, United States]; Georgescu, Alexandru Bogdan [Department of Chemistry, 800 East Kirkwood Avenue, Indiana University, Bloomington, Indiana 47405, United States] (ORCID:0000000231611491)

doi:10.48550/arxiv.2601.04460

DOE OSTI · 3366223

Discovery of Correlated Electron Molecular Orbital Materials using Graph Representations

Akhond, Md. Rajbanul [Department of Chemistry, 800 East Kirkwood Avenue, Indiana University, Bloomington, Indiana 47405, United States]·Georgescu, Alexandru Bogdan [Department of Chemistry, 800 East Kirkwood Avenue, Indiana University, Bloomington, Indiana 47405, United States] (ORCID:0000000231611491)

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Abstract

Preprint of manuscript describing database & physical properties of correlated electron molecular orbital materials.

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correlated electron materials

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Akhond, Md. Rajbanul [Department of Chemistry, 800 East Kirkwood Avenue, Indiana University, Bloomington, Indiana 47405, United States], Georgescu, Alexandru Bogdan [Department of Chemistry, 800 East Kirkwood Avenue, Indiana University, Bloomington, Indiana 47405, United States] (ORCID:0000000231611491). 2026-01-08. Discovery of Correlated Electron Molecular Orbital Materials using Graph Representations. https://doi.org/10.48550/arxiv.2601.04460

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