Preprint
Aug 2026
Cubic-Equivariant Neural Density Functional Theory for Three-Dimensional Lattice Fluids
A neural classical density functional that acts directly on unrestricted three-dimensional density profiles while also identifying accurate full-dimensional training data, thermodynamic consistency, and structural correlations as the central challenges for extensions to continuum fluids.
Jens Weimar, M. Oettel, Alessandro Simon
· 2 citations