7 papers
Structural Chart of Copper-Silver Nanoalloys through machine learning
Manoj Settem, Emanuele Telari, Antonio Tinti +2
Nanoalloys (or alloy nanoparticles) are an important class of materials that are promising for their functional properties. However, designing synthesis protocols to control their…
Molecular origin of slippery behaviour in tethered liquid layers
Fabio Rasera, Isaac J. Gresham, Antonio Tinti +2
Slippery covalently attached liquid surfaces (SCALS) are a family of nanothin polymer layers with remarkably low static droplet friction, characterised by a low contact angle hyste…
Inherent structural descriptors via machine learning
Emanuele Telari, Antonio Tinti, Manoj Settem +10
Finding proper collective variables for complex systems and processes is one of the most challenging tasks in simulations, which limits the interpretation of experimental and simul…
Local grafting heterogeneities control water intrusion and extrusion in nanopores
Sonia Cambiaso, Fabio Rasera, Antonio Tinti +4
Hydrophobic nanoporous materials can be intruded by water only by exerting an external action, typically increasing pressure. For some materials, water extrudes when the pressure i…
Bubbles enable volumetric negative compressibility in metastable elastocapillary systems
Davide Caprini, Francesco Battista, Pawel Zajdel +11
Although coveted in applications, few materials expand when subject to compression or contract under decompression, i.e., exhibit the negative compressibility phenomenon. A key ste…
The surface tension of Martini 3 water mixtures
Lorenzo Iannetti, Sonia Cambiaso, Fabio Rasera +4
The Martini model, a coarse-grained forcefield for biomolecular simulations, has experienced a vast increase in popularity in the past decade. Its building-block approach balances…