Browsing by Author Di Pasquale, N

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Showing results 1 to 6 of 6
Issue DateTitleAuthor(s)
24-Mar-2022Cleaving Method for Molecular Crystals and Its Application to Calculation of the Surface Free Energy of Crystalline β-d-Mannitol at Room TemperatureDi Pasquale, N; Davidchack, RL
4-Apr-2023Constant chemical potential-quantum mechanical-molecular dynamics simulations of the graphene-electrolyte double layerDi Pasquale, N; Finney, AR; Elliott, JD; Carbone, P; Salvalaglio, M
1-Jul-2021Dynamically polarizable force fields for surface simulations via multi-output classification neural networksDi Pasquale, N; Elliott, JD; Hadjidoukas, P; Carbone, P
10-Dec-2020Heterogeneous Multi-Rate mass transfer models in OPENFOAM®Municchi, F; Di Pasquale, N; Dentz, M; Icardi, M
22-Jul-2020Numerical simulation of crust freezing in processed meat: A fully coupled solid–fluid approachGreiciunas, E; Municchi, F; Di Pasquale, N; Icardi, M
8-Jun-2022A systematic analysis of the memory term in coarse-grained models: The case of the Markovian approximationDi Pasquale, N; Hudson, T; Icardi, M; Rovigatti, L; Spinaci, M