Jonathan R. Yates

19.2k citations

88 papers · 13.1k indexed · 6 hit papers · h-index 39

Impact in

Condensed Matter Physics top 0.2%
- Advanced Condensed Matter Physics
- Physics of Superconductivity and Magnetism
Materials Chemistry top 0.2%
- 2D Materials and Applications
- Graphene research and applications
- Solid-state spectroscopy and crystallography

Papers in

Structural Biology 5
Spectroscopy 47
- Advanced NMR Techniques and Applications 46
- Molecular spectroscopy and chirality 10

Co-authors: Ivo Souza David Vanderbilt Arash A. Mostofi Nicola Marzari Young‐Su Lee Chris J. Pickard Francesco Mauri Giovanni Pizzi
Journals: Physical Review B (8 papers)Journal of the American Chemical Society (7 papers)Physical Chemistry Chemical Physics (7 papers)Magnetic Resonance in Chemistry (7 papers)The Journal of Chemical Physics (6 papers)
Partner nations: United Kingdom France United States

In The Last Decade

Jonathan R. Yates

88 papers receiving 12.9k citations

Hit Papers

6 papers align trajectories log scale

An updated version of wannier90: A tool for obtaining maximally-localised Wannier functions 2014 · 1.7k citations

What are hit papers?

Hit papers significantly outperform the citation benchmark for their cohort. A paper qualifies if any of the following hold:

it has ≥500 total citations;
it reaches ≥1.5× the top-1% citation threshold for papers in the same subfield and year (the threshold is the minimum needed to enter the top 1%, not the average within it);
it reaches the top citation threshold in at least one of its specific research topics.

2014 Computer Physics Communications
2012 Reviews of Modern Physics
2012 Chemical Reviews
2007 Computer Physics Communications
2007 Physical Review B
2006 Physical Review B

Peers

Countries citing papers authored by Jonathan R. Yates

Since Specialization

Citations

This map shows the geographic impact of Jonathan R. Yates's research. It shows the number of citations coming from papers published by authors working in each country. You can also color the map by specialization and compare the number of citations received by Jonathan R. Yates with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Jonathan R. Yates more than expected).

Fields of papers citing papers by Jonathan R. Yates

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Jonathan R. Yates. Nodes represent research fields, and links connect fields that are likely to share authors. Colored nodes show fields that tend to cite the papers produced by Jonathan R. Yates. The network helps show where Jonathan R. Yates may publish in the future.

Co-authors

The 25 scholars most cited alongside Jonathan R. Yates, linked wherever they have co-authored with each other. Click a name or a connecting line to browse the papers they share.

Border = papers with Jonathan R. Yates Line = papers co-authored together Jonathan R. Yates links everyone, so they are left out of the graph.

All Works

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20 of 20 papers shown

#	Work
1	Wannier-function software ecosystem for materials simulations Reviews of Modern Physics ·Antimo Marrazzo, Kang Shuai, Elena R. Margine, Nicola Marzari, Arash A. Mostofi, Junfeng Qiao, Ivo Souza, Stepan S. Tsirkin, Jonathan R. Yates, Giovanni Pizzi	2024	7
2	Measuring multiple¹⁷O–¹³CJ-couplings in naphthalaldehydic acid: a combined solid state NMR and density functional theory approach Physical Chemistry Chemical Physics ·Gregory J. Rees, D. A. Aitkin, Céline Cotrel, Dinu Iuga, Jonathan R. Yates, John D. Wallis, John V. Hanna	2020	7
3	The Lorentz sphere visualised The Journal of Chemical Physics ·Simone Sturniolo, Jonathan R. Yates	2019	1
4	Visualization and processing of computed solid-state NMR parameters: MagresView and MagresPython Solid State Nuclear Magnetic Resonance ·Simone Sturniolo, Tim Green, Robert M. Hanson, Miri Zilka, Keith Refson, Paul Hodgkinson, Steven P. Brown, Jonathan R. Yates	2016	63
5	Ab initiocycloidal and chiral magnetoelectric responses inCr2O3 Physical review. B. ·XY Lie, Jonathan R. Yates, P. G. Radaelli	2016	3
6	Crystal Structure of the ZrO Phase at Zirconium/Zirconium Oxide Interfaces Advanced Engineering Materials ·Rebecca J. Nicholls, Na Ni, Sergio Lozano‐Perez, Andrew London, David W. McComb, Peter D. Nellist, C.R.M. Grovenor, Chris J. Pickard, Jonathan R. Yates	2014	71
7	Oxygen K-edge electron energy loss spectra of hydrous and anhydrous compounds Journal of Physics Condensed Matter ·B. Winkler, M. Ávalos‐Borja, Victor Milman, A. Ya. Perlov, Chris J. Pickard, Jonathan R. Yates	2013	11
8	Low-loss EELS of 2D boron nitride Journal of Physics Conference Series ·Rebecca J. Nicholls, James M. Perkins, Valeria Nicolosi, David W. McComb, Peter D. Nellist, Jonathan R. Yates	2012	5
9	Ultra-high resolution 17O solid-state NMR spectroscopy of biomolecules: A comprehensive spectral analysis of monosodium L-glutamate·monohydrate Physical Chemistry Chemical Physics ·Alan Wong, Mie Sakai, Jonathan R. Yates, Anthony Watts, Tiit Anupõld, Jaan Past, Ago Samoson, R. Dupree, Mark E. Smith	2011	26
10	Complete 1H resonance assignment of β-maltose from 1H–1H DQ-SQ CRAMPS and 1H (DQ-DUMBO)–13C SQ refocused INEPT 2D solid-state NMR spectra and first principles GIPAW calculations Physical Chemistry Chemical Physics ·Amy L. Webber, Bénédicte Elena‐Herrmann, John M. Griffin, Jonathan R. Yates, Tran N. Pham, Francesco Mauri, Chris J. Pickard, Ana M. Gil, Robin S. Stein, Anne Lesage, Lyndon Emsley, Steven P. Brown	2010	80
11	Prediction of NMR J-coupling in solids with the planewave pseudopotential approach Magnetic Resonance in Chemistry ·Jonathan R. Yates	2010	14
12	New perspectives in the PAW/GIPAW approach: JP-O-Si coupling constants, antisymmetric parts of shift tensors and NQR predictions Magnetic Resonance in Chemistry ·Christian Bonhomme, Christel Gervais, Cristina Coelho, Frédérique Pourpoint, Thierry Azaı̈s, Laure Bonhomme-Coury, Florence Babonneau, Guy Jacob, Maude Ferrari, Martino M. L. Pulici, Jonathan R. Yates, Chris J. Pickard, Siân A. Joyce, Francesco Mauri, Dominique Massiot	2010	35
13	First-principles investigation of the relation between structural and NMR parameters in vitreous GeO₂ Journal of Physics Condensed Matter ·Frida Andersen, Jonathan R. Yates, Alfredo Pasquarello	2010	12
14	Electric field gradient calculations in paramagnetic compounds using the PAW approach. Application to 23Na NMR in layered vanadium phosphates Magnetic Resonance in Chemistry ·Jérôme Cuny, Jonathan R. Yates, Régis Gautier, Éric Furet, Éric Le Fur, Laurent Le Pollès	2010	7
15	Natural Abundance ²⁵Mg Solid‐State NMR of Mg Oxyanion Systems: A Combined Experimental and Computational Study Chemistry - A European Journal ·Lindsay S. Cahill, John V. Hanna, Alan Wong, Jair C. C. Freitas, Jonathan R. Yates, Robin K. Harris, Mark E. Smith	2009	46
16	Electron-Phonon Interaction via Electronic and Lattice Wannier Functions: Superconductivity in Boron-Doped Diamond Reexamined Physical Review Letters ·Feliciano Giustino, Jonathan R. Yates, Ivo Souza, Marvin L. Cohen, Steven G. Louie	2007	151
17	Chemical shift computations on a crystallographic basis: some reflections and comments Magnetic Resonance in Chemistry ·Robin K. Harris, Paul Hodgkinson, Chris J. Pickard, Jonathan R. Yates, Vadim Zorin	2007	181
18	NMRcrystallography of oxybuprocaine hydrochloride, Modification II° Physical Chemistry Chemical Physics ·Robin K. Harris, Sylvian Cadars, Lyndon Emsley, Jonathan R. Yates, Chris J. Pickard, R.K.R. Jetti, Ulrich J. Griesser	2006	87
19	Solid‐state NMR and computational studies of 4‐methyl‐2‐nitroacetanilide Magnetic Resonance in Chemistry ·Robin K. Harris, Phuong Y. Ghi, Robert B. Hammond, Jan Peter van Wieringen, Kevin J. Roberts, Jonathan R. Yates, Chris J. Pickard	2006	34
20	A combined first principles computational and solid-state NMR study of a molecular crystal: flurbiprofen Physical Chemistry Chemical Physics ·Jonathan R. Yates, Sara E. Dobbins, Chris J. Pickard, Francesco Mauri, Phuong Y. Ghi, Robin K. Harris	2005	123

About Jonathan R. Yates

Jonathan R. Yates is a scholar working on Structural Biology, Spectroscopy, Materials Chemistry, Condensed Matter Physics and Ceramics and Composites, having authored 88 papers that have together received 13.1k indexed citations. Recurring topics across this work include Advanced NMR Techniques and Applications (46 papers), Solid-state spectroscopy and crystallography (41 papers), Molecular spectroscopy and chirality (10 papers), Crystal Structures and Properties (8 papers), X-ray Diffraction in Crystallography (8 papers), NMR spectroscopy and applications (7 papers), Graphene research and applications (6 papers) and Inorganic Fluorides and Related Compounds (6 papers). The work is most often cited by research in Condensed Matter Physics (3.0k citations), Materials Chemistry (8.3k citations), Atomic and Molecular Physics, and Optics (5.1k citations), Spectroscopy (2.7k citations) and Electronic, Optical and Magnetic Materials (2.9k citations). Jonathan R. Yates has collaborated with scholars based in United Kingdom, France and United States. Frequent co-authors include Ivo Souza, David Vanderbilt, Arash A. Mostofi, Nicola Marzari, Young‐Su Lee, Chris J. Pickard, Francesco Mauri, Giovanni Pizzi, Xinjie Wang and Albert P. Bartók. Their work appears in journals such as Physical Review B, Journal of the American Chemical Society, Physical Chemistry Chemical Physics, Magnetic Resonance in Chemistry and The Journal of Chemical Physics.

Rankless uses publication and citation data sourced from OpenAlex, an open and comprehensive bibliographic database. While OpenAlex provides broad and valuable coverage of the global research landscape, it—like all bibliographic datasets—has inherent limitations. These include incomplete records, variations in author disambiguation, differences in journal indexing, and delays in data updates. As a result, some metrics and network relationships displayed in Rankless may not fully capture the entirety of a scholar's output or impact.

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