Search Results for author: Daan Frenkel

Found 2 papers, 0 papers with code

Computation of the chemical potential and solubility of amorphous solids

no code implementations9 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

Monte Carlo sampling for stochastic weight functions

no code implementations19 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.

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