The Journal of chemical physics
Learning the bulk and interfacial physics of liquid-liquid phase separation with neural density functionals.
Silas Robitschko, Florian Sammüller, Matthias Schmidt, Robert Evans
Published: 202510.1063/5.0290261
Abstract
We use simulation-based supervised machine learning and classical density functional theory to investigate bulk and interfacial phenomena associated with phase coexistence in binary mixtures. For a prototypical symmetrical Lennard-Jones mixture, our…
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