64 citations · 88 across the 8 of their papers we have counts for
3 papers · 1 filter
Unconstrained learning of equivariant atomistic properties
Joseph W. Abbott, Paolo Pegolo, Pol Febrer +6
Machine-learned interatomic potentials based on graph neural networks (GNNs) have made first-principles accuracy routine for the potential energy surface (PES). Their backbones, of…
Electrolyte density, diffusivity and conductivity in graphene nanoconfinement predicted by separating interfacial from genuine confinement effects
Haoyuan Quan, Hanne S. Antila, Maximilian R. Becker +2
Confined aqueous electrolytes exhibit strong deviations from bulk behaviour, but it remains unclear which changes arise from genuine confinement-induced modification and which mere…
Combined effects of evaporation, sedimentation and solute crystallization on the dynamics of aerosol size distributions on multiple length and time scales
Sina Zendehroud, Ole Kleinjung, Philip Loche +5
We investigate three aspects of aerosol-mediated air-borne viral infection mechanisms on different length and time scales. First, we address the evolution of the size distribution…