Variational umbrella seeding for calculating nucleation barriers
In this work, we introduce variational umbrella seeding, a novel technique for computing
nucleation barriers. This new method, a refinement of the original seeding approach, is far …
nucleation barriers. This new method, a refinement of the original seeding approach, is far …
Predictions of the interfacial free energy along the coexistence line from single-state calculations
The calculation of the interfacial free energy between two thermodynamic phases is crucial
across various fields, including materials science, chemistry, and condensed matter physics …
across various fields, including materials science, chemistry, and condensed matter physics …
Solid-liquid interfacial free energy from computer simulations: Challenges and recent advances
The theory of interfacial properties in liquid-liquid or liquid-vapour systems is nearly 200
years old. The advent of computational tools has greatly advanced the field, mainly through …
years old. The advent of computational tools has greatly advanced the field, mainly through …