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Taylor & Francis Ltd

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Hydration structure of Na⁺ and K⁺ from ab initio molecular dynamics based on modern density functional theory

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Hydration of clays at the molecular scale: the promising perspective of classical density functional theory

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Ab initio molecular dynamics simulation of H5 O2+ and H7 O3+ gas phase clusters based on density functional theory

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Molecular Physics, Vol. 91, Iss. 5, 1997-08 ,pp. : 963-975

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The electric double layer at a rutile TiO₂ water interface modelled using density functional theory based molecular dynamics simulation

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