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Author

G. Cassone

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Open access Oct 2026

Why Interfacial Electric Fields May Appear Weaker: An Electron-Density-Based Study of the Flat Air–Water Interface

The catalytic properties of water microdroplets are often attributed to strong interfacial electric fields, yet the nature of these fields remains debated. Here we combine quantum data-driven many-body molecular dynamics, ab initio resampling, and spatially resolved electric field evaluations to rigorously assess int...

Gabriele Amante, G. Cassone · 0 citations
Open access Oct 2026

Interfacial Electric Fields in Water Nanodroplets Are Weakly Dependent on Curvature and pH

The origin of enhanced reactivity in aqueous microdroplets remains unresolved, with interfacial electric fields (IEFs) frequently proposed as catalytic drivers. Here, we present a quantum-mechanical, spatially resolved characterization of the electric field at air-water interfaces by combining deep learning molecular...

Gabriele Amante, Fortunata Panzera, Peng-Chao Zhang et al. · 0 citations
Open access Aug 2026

Supercritical water at near-experimental accuracy with MB-pol(2023).

Supercritical water (SCW) exhibits anomalous thermophysical properties that are notoriously challenging to reproduce computationally due to the progressive disruption of the hydrogen-bond network and the interplay between many-body interactions, density fluctuations, and thermal disorder. Here, we demonstrate that the...

Gaetano Denaro, G. Cassone · 0 citations

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