Teoría
Queen's University Belfast
Belfast, Reino UnidoPublicacións en colaboración con investigadores/as de Queen's University Belfast (14)
2023
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Effect of electronic stopping in molecular dynamics simulations of collision cascades in gallium arsenide
Physical Review Materials, Vol. 7, Núm. 2
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Nonlinear electronic stopping of negatively charged particles in liquid water
Physical Review Research, Vol. 5, Núm. 3
2022
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Bragg's additivity rule and core and bond model studied by real-time TDDFT electronic stopping simulations: The case of water vapor
Radiation Physics and Chemistry, Vol. 193
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Corrigendum to“Bragg's additivity rule and core and bond model studied by real-time TDDFT electronic stopping simulations: The case of water vapor”[Radiat. Phys. Chem. (2022) volume 193, article number: 109961] (Radiation Physics and Chemistry (2022) 193, (S0969806X22000032), (10.1016/j.radphyschem.2022.109961))
Radiation Physics and Chemistry
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Inelastic scattering of electrons in water from first principles: Cross sections and inelastic mean free path for use in Monte Carlo track-structure simulations of biological damage
Royal Society Open Science, Vol. 9, Núm. 5
2020
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Efficient ab initio calculation of electronic stopping in disordered systems via geometry pre-sampling: Application to liquid water
Journal of Chemical Physics, Vol. 153, Núm. 3
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First-principles characterization of single-electron polaron in WO3
Physical Review Research, Vol. 2, Núm. 1
2019
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Electronic heat transport versus atomic heating in irradiated short metallic nanowires
Physical Review B, Vol. 100, Núm. 15
2017
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Water radiolysis by low-energy carbon projectiles from first-principles molecular dynamics
PLoS ONE, Vol. 12, Núm. 3
2013
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Electronic stopping power of H and He in Al and LiF from first principles
Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms, Vol. 303, pp. 59-61
2012
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Electronic stopping power in gold: The role of d electrons and the H/He anomaly
Physical Review Letters, Vol. 108, Núm. 22
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Nonadiabatic forces in ion-solid interactions: The initial stages of radiation damage
Physical Review Letters, Vol. 108, Núm. 21
2011
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Dispersion interactions in room-temperature ionic liquids: Results from a non-empirical density functional
Journal of Chemical Physics, Vol. 135, Núm. 15