56 citations · 219 across the 11 of their papers we have counts for
11 papers
Thermodynamic Descriptors from Molecular Dynamics as Machine Learning Features for Extrapolable Property Prediction
Nuria H. Espejo, Pablo Llombart, Andrés González de Castilla +3
The limited extrapolative power of structure-based machine learning (ML) models is a critical bottleneck in chemical discovery, particularly for industrial R&D, where navigating un…
Rolling, sliding and trapping of driven particles in square obstacle lattices
Galor Geva, Arin Escobar, Paula Magrinya +4
Transport phenomena in complex and dynamic microscopic environments are fundamentally shaped by hydrodynamic interactions. In particular, microparticle transport in porous media is…
Understanding Interfacial Ice Premelting: Structure, Adhesion and Nucleation
Łukasz Baran, Pablo Llombart, Luis G. MacDowell
In this work, we perform a systematic computer simulation study of ice premelting, and explore the thickness and structure of quasi-liquid layers formed at the interface of ice wit…
Is it possible to overheat ice? The activated melting of TIP4P/Ice at solid-vapor coexistence
Lukasz Baran, Pablo Llombart, Eva G. Noya +1
A widely accepted phenomenological rule states that solids with free surfaces cannot be overheated. In this work we discuss this statement critically under the light of the statist…
Rolling vesicles: From confined rotational flows to surface-enabled motion
Paula Magrinya, Pablo Palacios, Pablo Llombart +4
The interaction of surfaces in relative motion in wet environments is dominated by lubrication forces, which play a pivotal role in the dynamics of microscopic systems. Here, we de…
Structure and water attachment rates of ice in the atmosphere: role of nitrogen
Pablo Llombart, Ramón M. Bergua, Eva G. Noya +1
In this work we perform computer simulations of the ice surface in order to elucidate the role of nitrogen in the crystal growth rates and crystal habits of snow in the atmosphere.…
Surface phase transitions and crystal growth rates of ice in the atmosphere
Pablo Llombart, Eva G. Noya, Luis G. MacDowell
With climate modeling predicting a raise of at least 2 C by year 2100, the fate of ice has become a serious concern, but we still do not understand how ice grows (or melts). In the…
Rounded Layering Transitions on the Surface of Ice
Pablo Llombart, Eva G. Noya, David N. Sibley +2
Understanding the wetting properties of premelting films requires knowledge of the film's equation of state, which is not usually available. Here we calculate the disjoining pressu…
Structure and fluctuations of the premelted liquid film of ice at the triple point
Jorge Benet, Pablo Llombart, Eduardo Sanz +1
In this paper we study the structure of the ice/vapor interface in the neighborhood of the triple point for the TIP4P/2005 model. We probe the fluctuations of the ice/film and film…
How ice grows from premelting films and water droplets
David N. Sibley, Pablo Llombart, Eva G. Noya +2
Close to the triple point, the surface of ice is covered by a thin liquid layer (so-called quasi-liquid layer) which crucially impacts growth and melting rates. Experimental probes…
Premelting-Induced Smoothening of the Ice-Vapor Interface
Jorge Benet, Pablo Llombart, Eduardo Sanz +1
We perform computer simulations of the quasiliquid layer of ice formed at the ice-vapor interface close to the ice Ih-liquid-vapor triple point of water. Our study shows that the t…