Nicodemo Di Pasquale

5PUBLICATIONS
16CO-AUTHORS
Computational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Fluid-structure interaction and aeroacousticsTheoretical quantum chemistryComputational chemistryCatalysis and mechanisms of reactions
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Publications (5)

|May 12, 2025
Solid-Liquid Interfacial Free Energy from Computer Simulations: Challenges and Recent Advances.

Nicodemo Di Pasquale, Jesús Algaba, Pablo Montero de Hijes

|Feb 06, 2025
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.

Fulu Zhou, Nicodemo Di Pasquale, Paola Carbone

|Apr 08, 2023
Constant chemical potential-quantum mechanical-molecular dynamics simulations of the graphene-electrolyte double layer.

Nicodemo Di Pasquale, Aaron R Finney, Joshua D Elliott

|Mar 24, 2022
Cleaving Method for Molecular Crystals and Its Application to Calculation of the Surface Free Energy of Crystalline β-d-Mannitol at Room Temperature.

Nicodemo Di Pasquale, Ruslan L Davidchack

|Jul 01, 2021
Dynamically Polarizable Force Fields for Surface Simulations via Multi-output Classification Neural Networks.

Nicodemo Di Pasquale, Joshua D Elliott, Panagiotis Hadjidoukas

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Frequent Collaborators

3 joint publications

Paola Carbone

2 joint publications

Joshua D Elliott

1 joint publications

Aaron R Finney

1 joint publications

Matteo Salvalaglio