Search Results - Michaelides, Angelos

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  1. 1
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    Entropy governs the structure and reactivity of water dissociation under electric fields by Litman, Yair, Michaelides, Angelos

    Published 2025
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  2. 2
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    Mechanisms for the Formation of Active Sites in Single-Atom Alloys by Karageorgiou, Ioannis, Michaelides, Angelos, Berger, Fabian

    Published 2025
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  3. 3
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    When Is Nanoconfined Water Different From Interfacial Water? by Advincula, Xavier R., Schran, Christoph, Michaelides, Angelos

    Published 2025
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  4. 4
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    How Accurate Are DFT Forces? Unexpectedly Large Uncertainties in Molecular Datasets by Kuryla, Domantas, Berger, Fabian, Csányi, Gábor, Michaelides, Angelos

    Published 2025
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  5. 5
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    Interaction between water and carbon nanostructures: How good are current density functional approximations? by Brandenburg, Jan Gerit, Zen, Andrea, Alfè, Dario, Michaelides, Angelos

    Published 2019
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  6. 6
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    DMC-ICE13: ambient and high pressure polymorphs of ice from Diffusion Monte Carlo and Density Functional Theory by Della Pia, Flaviano, Zen, Andrea, Alfè, Dario, Michaelides, Angelos

    Published 2022
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  7. 7
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    Mechanisms of adsorbing hydrogen gas on metal decorated graphene by Al-Hamdani, Yasmine S., Zen, Andrea, Michaelides, Angelos, Alfè, Dario

    Published 2022
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  8. 8
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    How accurate are simulations and experiments for the lattice energies of molecular crystals? by Della Pia, Flaviano, Zen, Andrea, Alfè, Dario, Michaelides, Angelos

    Published 2024
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  9. 9
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    Defects induce phase transition from dynamic to static rippling in graphene by Thiemann, Fabian L., Scalliet, Camille, Müller, Erich A., Michaelides, Angelos

    Published 2024
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  10. 10
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    The Wetting of H$_2$O by CO$_2$ by Brookes, Samuel G. H., Kapil, Venkat, Schran, Christoph, Michaelides, Angelos

    Published 2024
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  11. 11
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    Protons accumulate at the graphene-water interface by Advincula, Xavier R., Fong, Kara D., Michaelides, Angelos, Schran, Christoph

    Published 2024
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  12. 12
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    CO2 Hydration at the Air-Water Interface: A Surface-Mediated 'In and Out' Mechanism by Brookes, Samuel G. H., Kapil, Venkat, Michaelides, Angelos, Schran, Christoph

    Published 2025
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  13. 13
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    How Crystalline is Low-Density Amorphous Ice? by Davies, Michael Benedict, Rosu-Finsen, Alexander, Salzmann, Christoph G., Michaelides, Angelos

    Published 2023
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  14. 14
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    Going for Gold(-Standard): Attaining Coupled Cluster Accuracy in Oxide-Supported Nanoclusters by Shi, Benjamin X., Wales, David J., Michaelides, Angelos, Myung, Chang Woo

    Published 2023
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  15. 15
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    Quasi-one-dimensional hydrogen bonding in nanoconfined ice by Ravindra, Pavan, Advincula, Xavier R., Schran, Christoph, Michaelides, Angelos, Kapil, Venkat

    Published 2023
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  16. 16
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    Defect-Dependent Corrugation in Graphene by Thiemann, Fabian L., Rowe, Patrick, Zen, Andrea, Müller, Erich A., Michaelides, Angelos

    Published 2021
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  17. 17
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    To Pair or not to Pair? Machine-Learned Explicitly-Correlated Electronic Structure for NaCl in Water by O'Neill, Niamh, Shi, Benjamin X., Fong, Kara, Michaelides, Angelos, Schran, Christoph

    Published 2023
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  18. 18
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    Introduction to machine learning potentials for atomistic simulations by Thiemann, Fabian L., O'Neill, Niamh, Kapil, Venkat, Michaelides, Angelos, Schran, Christoph

    Published 2024
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  19. 19
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    The first-principles phase diagram of monolayer nanoconfined water by Kapil, Venkat, Schran, Christoph, Zen, Andrea, Chen, Ji, Pickard, Chris J., Michaelides, Angelos

    Published 2021
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  20. 20
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    On the increase of the melting temperature of water confined in one-dimensional nano-cavities by Della Pia, Flaviano, Zen, Andrea, Kapil, Venkat, Thiemann, Fabian L., Alfè, Dario, Michaelides, Angelos

    Published 2024
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