no code implementations • 9 Mar 2021 • H. A. Vinutha, Daan Frenkel
However, we find that if we compute the difference of the chemical potential of the components with the the non-equilibrium free energy expression proposed by Jarzynski, we obtain a good match with the extrapolated value of the supercooled liquid.
Statistical Mechanics
no code implementations • 19 Dec 2016 • Daan Frenkel, K. Julian Schrenk, Stefano Martiniani
Conventional Monte Carlo simulations are stochastic in the sense that the acceptance of a trial move is decided by comparing a computed acceptance probability with a random number, uniformly distributed between 0 and 1.