First-principles computational analysis of oxidation in uranium dioxide
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Antwerp, University of Antwerp, Faculty of Science, 2024,xii, 192 p.
Ab initio study of the adsorption of O, O₂, H₂O and H₂O₂ on UO₂ surfaces using DFT plus U and non-collinear magnetism
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Journal of nuclear materials - ISSN 0022-3115-599 (2024) p. 1-12
A combined experimental and computational approach to understanding CdS pigment oxidation in a renowned early 20th century painting
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Chemistry of materials - ISSN 0897-4756-35:24 (2023) p. 10403-10415
Decoupled DFT-$\frac{1}{2}$ method for defect excitation energies
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Physical review B - ISSN 2469-9950-108:12 (2023) p. 1-9
Plasmonic effects in the neutralization of slow ions at a metallic surface
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Contributions to plasma physics - ISSN 0863-1042- (2023) p.