100 citations · 417 across the 18 of their papers we have counts for
4 papers · 1 filter
Activated wetting of nanostructured surfaces: reaction coordinates, finite size effects, and simulation pitfalls
Matteo Amabili, Simone Meloni, Alberto Giacomello +1
A liquid in contact with a textured surface can be found in two states, Wenzel and Cassie. In the Wenzel state the liquid completely wets the corrugations while in the Cassie state…
Mechanism of the Cassie-Wenzel transition via the atomistic and continuum string methods
Alberto Giacomello, Simone Meloni, Marcus Mueller +1
The string method is a general and flexible strategy to compute the most probable transition path for an activated process (rare event). We apply here the atomistic string method i…
Relaxation of a steep density gradient in a simple fluid: comparison between atomistic and continuum modeling
Meisam Pourali, Simone Meloni, Francesco Magaletti +3
We compare dynamical nonequilibrium molecular dynamics and continuum simulations of the dynamics of relaxation of a fluid system characterized by a non uniform density profile. Res…
Combining rare events techniques: phase change in Si nanoparticles
Simone Meloni, Sergio Orlandini, Giovanni Ciccotti
We introduce a combined Restrained MD/Parallel Tempering approach to study the difference in free energy as a function of a set of collective variables between two states in presen…