RR
Ruben Rodriguez-Madrid
physics.chem-phBayesian probabilitychemical shift assignmentNMR crystallographyshielding predictionssolid‐state NMR
On Valency
published · living versionsW_he8wu28x·v1 · currentpublished
Machine-Learned NMR Shieldings in Molecular Solids with Built-In Hybrid-Functional Molecular Corrections
with Matthias Kellner, Jacob B. Holmes, Pablo A. Unzueta, Gregory J. O. Beran +2
1 version
Preprints & journals
5 papers in the corpus · 2025–2026Atomic-level structure of an amorphous solid dispersion10.26434/chemrxiv.15010694/v1 · Jacob B. Holmes, Daria Torodii, Tommaso Casalini et al.2026 · 0 citationsChemRxiv
Machine-Learned NMR Shieldings in Molecular Solids with Built-In Hybrid-Functional Molecular Corrections2608.21313v1 · Matthias Kellner, Ruben Rodriguez-Madrid, Jacob B. Holmes et al.2026 · 0 citationsarXivon Valency
Quantum-corrected NMR crystallography at scale2603.06236v2 · Matthias Kellner, Ruben Rodriguez-Madrid, Jacob B. Holmes et al.2026 · 0 citationsarXiv
Rapid Assignment of Chemical Shifts From Crystal Structures in Solid-State NMR.41733200 · Rodriguez-Madrid, Ruben, Holmes, Jacob Brian, Emsley, Lyndon2026 · 0 citationsAngewandte Chemie (International ed. in English). 2026;65(14):e25558
A Deep Learning Model for Chemical Shieldings in Molecular Organic Solids Including Anisotropy.40825152 · Kellner, Matthias, Holmes, Jacob B, Rodriguez-Madrid, Ruben et al.2025 · 12 citationsThe journal of physical chemistry letters. 2025;16(34):8714-8722
Career total: 9 works. 5 are in this corpus.
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