44 citations · 237 across the 19 of their papers we have counts for
3 papers · 1 filter
Nonequilibrium free energy methods applied to magnetic systems: the degenerate Ising model
Samuel Cajahuaringa, Alex Antonelli
In this paper, we review the physical concepts of the nonequilibrium techniques for the calculation of free energies applied to magnetic systems using Monte Carlo simulations of di…
Stochastic sampling of the isothermal-isobaric ensemble: phase diagram of crystalline solids from molecular dynamics simulation
Samuel Cajahuaringa, Alex Antonelli
A methodology to sample the isothermal-isobaric ensemble using Langevin dynamics is proposed, which combines novel features of geometric integrators for the equations of motion. By…
Revisiting Dynamics Near a Liquid-Liquid Phase Transition in Si and Ga: The Fragile-to-Strong Transition
Samuel Cajahuaringa, Maurice de Koning, Alex Antonelli
Using molecular dynamics simulations we analyze the dynamics of two atomic liquids that display a liquid-liquid phase transition (LLPT): Si described by the Stillinger-Weber potent…