3 papers
cond-mat.stat-mech2026
Cubic-Equivariant Neural Density Functional Theory for Three-Dimensional Lattice Fluids
Jens Weimar, Martin Oettel, Alessandro Simon
We construct a neural classical density functional that acts directly on unrestricted three-dimensional density profiles. As a computationally tractable test bed, we consider paral…
cond-mat.stat-mech2025
Neural Density Functional Theory in Higher Dimensions with Convolutional Layers
Felix Glitsch, Jens Weimar, Martin Oettel
Based on recent advancements in using machine learning for classical density functional theory for systems with one-dimensional, planar inhomogeneities, we propose a machine learni…
cond-mat.soft2024
Effective patchiness from critical points of a coarse-grained protein model with explicit shape and charge anisotropy
Jens Weimar, Frank Hirschmann, Martin Oettel
Colloidal model systems are successful in rationalizing emergent phenomena like aggregation, rheology and phase behaviour of protein solutions. Colloidal theory in conjunction with…