Jonathan R Yates

8PUBLICATIONS
33CO-AUTHORS
Nonlinear optics and spectroscopyGlassNeural networksRadiation and matterCondensed matter modelling and density functional theory
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Publications (8)

|Jun 11, 2026
An ab initio study and machine learning framework to capture the motional effects in solid-state NMR of lithium-ion conductors.

|Feb 19, 2026
Harnessing microalgae for the biosynthesis of molecular crystals.

Avital Wagner, Noam Margalit, Yahel Fishman

|Jul 09, 2025
Graph-neural-network predictions of solid-state NMR parameters in silica from spherical tensor decomposition.

Chiheb Ben Mahmoud, Louise A M Rosset, Jonathan R Yates

|Sep 18, 2024
Accurate predictions of chemical shifts with the rSCAN and r2SCAN mGGA exchange-correlation functionals.

Jonathan R Yates, Albert P Bartók

|Aug 31, 2021
Mapping of N-C Bond Formation from a Series of Crystalline Peri-Substituted Naphthalenes by Charge Density and Solid-State NMR Methodologies.

Gregory J Rees, Mateusz B Pitak, Alberth Lari

|Aug 25, 2018
An NMR crystallography investigation of furosemide.

Miri Zilka, Jonathan R Yates, Steven P Brown

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Frequent Collaborators

2 joint publications

Miri Zilka

2 joint publications

Kenneth D M Harris

2 joint publications

Steven P Brown

2 joint publications

Gregory J Rees