44 citations · 45 across the 2 of their papers we have counts for
2 papers
cond-mat.soft2024★ 44 cited
Interfacial free energy and Tolman length of curved liquid-solid interfaces from equilibrium studies
P. Montero de Hijes, Jorge. R. Espinosa, Valentino Bianco +2
In this work, we study by means of simulations of hard spheres the equilibrium between a spherical solid cluster and the fluid. In the NVT ensemble we observe stable/metastable clu…
cond-mat.soft2023
Comparing machine learning potentials for water: Kernel-based regression and Behler-Parrinello neural networks
Pablo Montero de Hijes, Christoph Dellago, Ryosuke Jinnouchi +2
In this paper we investigate the performance of different machine learning potentials (MLPs) in predicting key thermodynamic properties of water using RPBE+D3. Specifically, we scr…