Search Results - Silvestri, A.

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  1. 1
    Obtaining Consistent Free Energies for Ion Binding at Surfaces from Solution: Pathways versus Alchemy for Determining Kink Site Stability

    Obtaining Consistent Free Energies for Ion Binding at Surfaces from Solution: Pathways versus Alchemy for Determining Kink Site Stability by Silvestri, A., Raiteri, Paolo, Gale, Julian

    Published 2022
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  2. 2
    Solubility-consistent force field simulations for aqueous metal carbonate systems using graphical processing units

    Solubility-consistent force field simulations for aqueous metal carbonate systems using graphical processing units by Armstrong, B., Silvestri, A., Demichelis, Raffaella, Raiteri, Paolo, Gale, Julian

    Published 2023
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  3. 3
    A Universal Force Field for Materials, Periodic GFN-FF: Implementation and Examination

    A Universal Force Field for Materials, Periodic GFN-FF: Implementation and Examination by Gale, Julian, Leblanc, L.M., Spackman, Peter, Silvestri, A., Raiteri, Paolo

    Published 2021
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  4. 4
    Does the Structural Water within Gypsum Remain Crystalline at the Aqueous Interface?

    Does the Structural Water within Gypsum Remain Crystalline at the Aqueous Interface? by Söngen, H., Silvestri, A., Roshni, T., Klassen, S., Bechstein, R., Raiteri, Paolo, Gale, Julian, Kühnle, A.

    Published 2021
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  5. 5
    A quantum mechanically derived force field to predict CO2Adsorption on calcite {10.4} in an aqueous environment

    A quantum mechanically derived force field to predict CO2Adsorption on calcite {10.4} in an aqueous environment by Silvestri, A., Budi, A., Ataman, E., Olsson, M., Andersson, M., Stipp, S., Gale, J., Raiteri, Paolo

    Published 2017
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