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cond-mat.stat-mech2021★ 5 cited
Estimation of the equilibrium free energy for glasses using the Jarzynski equality
H. A. Vinutha, Daan Frenkel
The free energy of glasses cannot be estimated using thermodynamic integration, as glasses are intrinsically not in equilibrium. We present numerical simulations showing that, in c…
cond-mat.stat-mech2021★ 8 cited
Computation of the chemical potential and solubility of amorphous solids
H. A. Vinutha, Daan Frenkel
Using a recently developed technique to estimate the equilibrium free energy of glassy materials, we explore if equilibrium simulation methods can be used to estimate the solubilit…