27 citations · 34 across the 4 of their papers we have counts for
3 papers · 1 filter
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…
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…
Machine learning of a density functional for anisotropic patchy particles
Alessandro Simon, Jens Weimar, Georg Martius +1
Anisotropic patchy particles have become an archetypical statistical model system for associating fluids. Here we formulate an approach to the Kern-Frenkel model via classical dens…