418 citations · 2.8k across the 39 of their papers we have counts for
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Equilibrium molecular dynamics evaluation of the solid-liquid friction coefficient: role of timescales
Haruki Oga, Takeshi Omori, Laurent Joly +1
Solid-liquid friction plays a key role in nanofluidic systems. Yet, despite decades of method development to quantify solid-liquid friction using molecular dynamics (MD) simulation…
Connection between water's dynamical and structural properties: insights from ab initio simulations
Cecilia Herrero, Michela Pauletti, Gabriele Tocci +2
Among all fluids, water has always been of special concern for scientists from a broad variety of research fields due to its rich behavior. In particular, some questions remain una…
Osmotic transport at the aqueous graphene and hBN interfaces: scaling laws from a unified, first principles description
Laurent Joly, Robert H. Meißner, Marcella Iannuzzi +1
Osmotic transport in nanoconfined aqueous electrolytes provides new venues for water desalination and "blue energy" harvesting; the osmotic response of nanofluidic systems is contr…
Viscosity and self-diffusion of supercooled and stretched water from molecular dynamics simulations
Pablo Montero de Hijes, Eduardo Sanz, Laurent Joly +2
Among the numerous anomalies of water, the acceleration of dynamics under pressure is particularly puzzling. Whereas the diffusivity anomaly observed in experiments has been reprod…
Assessment of elastic models in supercooled water: A molecular dynamics study with the TIP4P/2005f force field
Emmanuel Guillaud, Laurent Joly, Dominique De Ligny +1
Glass formers exhibit a viscoelastic behavior: at the laboratory timescale, they behave like (glassy) solids at low temperatures, and like liquids at high temperatures. Based on th…