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Solid-Liquid Interfacial Free Energy from Computer Simulations: Challenges and Recent Advances

Nicodemo Di Pasquale1, Jesús Algaba2, Pablo Montero de Hijes3

  • 1Department of Industrial Chemistry "T. Montanari", Università di Bologna, via Gobetti 85, 40129 Bologna, Italy.

Chemical Reviews
|May 12, 2025
PubMed
Summary

Calculating solid-liquid interfacial free energy is crucial for understanding material properties. This review overviews numerical methods, including direct and indirect approaches, to tackle simulation challenges in this complex area.

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