DI PASQUALE, NICODEMO
DI PASQUALE, NICODEMO
CHIMIND - DIPARTIMENTO DI CHIMICA INDUSTRIALE "TOSO MONTANARI"
Docenti di ruolo di IIa fascia
Applicability of the thermodynamic and mechanical route to Young’s equation for rigid and flexible solids: A molecular dynamics simulations study of a Lennard-Jones system model
2025 Zhou, Fulu; Di Pasquale, Nicodemo; Carbone, Paola
Characterization of a Single-use Bioreactor for Pharmaceutical Applications for the Mixing of Non-newtonian Fluids
2025 Alberini, Federico; Lo Chiano, Martina; Montante, Giuseppina Maria Rosa; Di Pasquale, Nicodemo; Maluta, Francesco; Paglianti, Alessandro
Performance of a Pharmaceutical Single-Use Stirred Tank Operating at Different Filling Volumes: Mixing Time, Fluid Dynamics and Power Consumption
2025 Alberini, Federico; Albano, Andrea; Singh, Pushpinder; Montante, Giuseppina; Maluta, Francesco; Di Pasquale, Nicodemo; Paglianti, Alessandro
Solid–Liquid Interfacial Free Energy from Computer Simulations: Challenges and Recent Advances
2025 Di Pasquale, Nicodemo; Algaba, Jesús; Montero De Hijes, Pablo; Sanchez-Burgos, Ignacio; Tejedor, Andres R.; Yeandel, Stephen R.; Blas, Felipe J.; Davidchack, Ruslan L.; Espinosa, Jorge R.; Freeman, Colin L.; Harding, John H.; Laird, Brian B.; Sanz, Eduardo; Vega, Carlos; Rovigatti, Lorenzo
CLEAVING: a LAMMPS package to compute surface free energies
2024 Di Pasquale, Nicodemo; Davidchack, Ruslan; Rovigatti, Lorenzo
On the reliability of Image Analysis for bubble size distribution measurements in electrolyte solutions in stirred reactors
2024 Alberini, Federico; Nerini, Francesco; Mandolini, Niccolò; Maluta, Francesco; Paglianti, Alessandro; Pasquale, Nicodemo Di; Montante, Giuseppina
A systematic analysis of the memory term in coarse-grained models: The case of the Markovian approximation
2023 Di Pasquale N.; Hudson T.; Icardi M.; Rovigatti L.; Spinaci M.
Constant chemical potential-quantum mechanical-molecular dynamics simulations of the graphene-electrolyte double layer
2023 Di Pasquale N.; Finney A.R.; Elliott J.D.; Carbone P.; Salvalaglio M.
Population Balance Models for Particulate Flows in Porous Media: Breakage and Shear-Induced Events
2023 Icardi M.; Di Pasquale N.; Crevacore E.; Marchisio D.; Babler M.U.
Cleaving Method for Molecular Crystals and Its Application to Calculation of the Surface Free Energy of Crystalline β-d-Mannitol at Room Temperature
2022 Di Pasquale, N.; Davidchack, R. L.
Dynamically Polarizable Force Fields for Surface Simulations via Multi-output Classification Neural Networks
2021 Di Pasquale, Nicodemo; Elliott, Joshua D.; Hadjidoukas, Panagiotis; Carbone, Paola
Heterogeneous Multi-Rate mass transfer models in OPENFOAM®
2021 Municchi F.; Di Pasquale N.; Dentz M.; Icardi M.
A different approach to dual-scale models
2020 Gowers R.J.; Carbone P.; Di Pasquale N.
Numerical simulation of crust freezing in processed meat: A fully coupled solid–fluid approach
2020 Greiciunas E.; Municchi F.; Di Pasquale N.; Icardi M.
Shuttleworth equation: A molecular simulations perspective
2020 Di Pasquale N.; Davidchack R.L.
Systematic derivation of hybrid coarse-grained models
2019 Di Pasquale N.; Hudson T.; Icardi M.
Structural and mechanical properties of homogeneous solid-liquid interface of Al modelled with COMB3 potential
2018 Yan R.; Sun W.Z.; Ma S.D.; Davidchack R.L.; Di Pasquale N.; Zhai Q.J.; Jing T.; Dong H.B.
The accuracy of ab initio calculations without ab initio calculations for charged systems: Kriging predictions of atomistic properties for ions in aqueous solutions
2018 Di Pasquale N.; Davie S.J.; Popelier P.L.A.
A novel multiscale model for the simulation of polymer flash nano-precipitation
2017 Lavino A.D.; Di Pasquale N.; Carbone P.; Marchisio D.L.
Geometry Optimization with Machine Trained Topological Atoms
2017 Zielinski F.; Maxwell P.I.; Fletcher T.L.; Davie S.J.; Di Pasquale N.; Cardamone S.; Mills M.J.L.; Popelier P.L.A.