100 citations · 417 across the 18 of their papers we have counts for
5 papers · 1 filter
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…
Temperature Accelerated Monte Carlo (TAMC): a method for sampling the free energy surface of non-analytical collective variables
Giovanni Ciccotti, Simone Meloni
We introduce a new method to simulate the physics of rare events. The method, an extension of the Temperature Accelerated Molecular Dynamics, comes in use when the collective varia…
Hydrodynamics from dynamical non-equilibrium MD
Sergio Orlandini, Simone Meloni, Giovanni Ciccotti
We review a dynamical approach to non-equilibrium MD (D-NEMD). We show how, using a proper simulation setup, is possible to treat interesting cases in which the initial condition i…
Atomistic structure of amorphous silicon nitride from classical molecular dynamics simulations
Mariella Ippolito, Simone Meloni
By means of molecular dynamics simulations based on the Billeter et al. [S. R. Billeter, A. Curioni, D. Fischer, and W. Andreoni, Phys. Rev. B {\bf 73}, 155329] environment-depende…
Order-disorder phase change in embedded Si nano-particles
Sergio Orlandini, Simone Meloni, Luciano Colombo
We investigated the relative stability of the amorphous vs crystalline nanoparticles of size ranging between 0.8 and 1.8 nm. We found that, at variance from bulk systems, at low T…