G. A. de Wijs

Radboud University Nijmegen — Netherlands

Materials Science · Physical Sciences

40h-index6.3kcitations179works3.12yr avg
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Research Topics

Hydrogen Storage and Materials(29), Advanced Chemical Physics Studies(21), X-ray Diffraction in Crystallography(19), Solid-state spectroscopy and crystallography(18), Magnetic and transport properties of perovskites and related materials(16)

Publications179 total

Equivariant machine learning of electric field gradients—Predicting the quadrupolar coupling constant in the MAPbI3 phase transition
The Journal of Chemical Physics·2025· 1 citedOpen Access
NMR chemical shielding for solid-state systems using spin–orbit coupled ZORA GIPAW
The Journal of Chemical Physics·2025· 2 citedOpen Access
Equivariant machine learning of Electric Field Gradients -- Predicting the quadrupolar coupling constant in the MAPbI$_3$ phase transition
arXiv (Cornell University)·2025Open Access
Automated wide-line nuclear quadrupole resonance of mixed-cation lead-halide perovskites
Magnetic Resonance·2025· 1 citedOpen Access
NMR chemical shielding for solid-state systems using spin-orbit coupled ZORA GIPAW
arXiv (Cornell University)·2025Open Access
Supplementary material to "Automated wideline nuclear quadrupole resonance of mixed-cation lead halide perovskites"
2025Open Access
Automated wideline nuclear quadrupole resonance of mixed-cation lead halide perovskites
2025· 2 citedOpen Access
Phosphorus Oxidation Controls Epitaxial Shell Growth in InP/ZnSe Quantum Dots
ACS Nano·2024· 8 citedOpen Access
Perspective on the photochromic and photoconductive properties of Rare-Earth Oxyhydride thin films
Solar Energy Materials and Solar Cells·2024· 14 citedOpen Access
Exploring Multi-Anion Chemistry in Yttrium Oxyhydrides: Solid-State NMR Studies and DFT Calculations
The Journal of Physical Chemistry C·2023· 16 citedOpen Access
Disorder to order: how halide mixing in MAPbI<sub>3−<i>x</i></sub>Br<sub><i>x</i></sub> perovskites restricts MA dynamics
Journal of Materials Chemistry A·2023· 17 citedOpen Access
Correction to “Aliovalent Calcium Doping of Yttrium Oxyhydride Thin Films and Implications for Photochromism”
The Journal of Physical Chemistry C·2022Open Access
Aliovalent Calcium Doping of Yttrium Oxyhydride Thin Films and Implications for Photochromism
The Journal of Physical Chemistry C·2022· 11 citedOpen Access
Interfacial charge transfer and Schottky barriers at c-Si/a-In heterojunctions
Journal of Physics Communications·2022· 2 citedOpen Access
Impact of F and S doping on (Mn,Fe)2(P,Si) giant magnetocaloric materials
Acta Materialia·2022· 24 citedOpen Access
Energy, metastability, and optical properties of anion-disordered <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>R</mml:mi><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mi>x</mml:mi></mml:msub><mml:msub><mml:mi mathvariant="normal">H</mml:mi><mml:mrow><mml:mn>3</mml:mn><mml:mo>−</mml:mo><mml:mn>2</mml:mn><mml:mi>x</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:math> <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mo>(</mml:mo><mml:mi>R</mml:mi><mml:mo>=</mml:mo><mml:mrow><mml:mi mathvariant="normal">Y</mml:mi><mml:mo>,</mml:mo><mml:mspace width="0.16em"/><mml:mi>La</mml:mi></mml:mrow><mml:mo>)</mml:mo></mml:mrow></mml:math> oxyhydrides: A computational study
Physical review. B./Physical review. B·2022· 11 citedOpen Access
Comparing GIPAW with numerically exact chemical shieldings: The role of two-center contributions to the induced current
The Journal of Chemical Physics·2021· 2 citedOpen Access
Lithiation of the Fe2P-based magnetocaloric materials: A first-principles study
Journal of Magnetism and Magnetic Materials·2021· 10 citedOpen Access
Microscopic (Dis)order and Dynamics of Cations in Mixed FA/MA Lead Halide Perovskites
The Journal of Physical Chemistry C·2021· 45 citedOpen Access
Computational screening of the magnetocaloric materials
Handbook of magnetic materials·2021
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Frequent Co-authors

R. A. de Groot(20), Geert Brocks(8), Georg Kresse(5), Chun Fang(5), T. T. M. Palstra(5), Michiel J. van Setten(5), Jisk Attema(5), R. A. de Groot(4), M. Uijttewaal(4), Annabella Selloni(4), Changming Fang(3), H.T. Hintzen(3), G. de With(3), Süleyman Er(3), Arno P. M. Kentgens(3), Gijsbertus de With(3), Lidunka Vočadlo(2), M. J. Gillan(2), G. D. Price(2), Christine C. Mattheus(2)