27 citations · 34 across the 4 of their papers we have counts for
5 papers
Superadiabatic Dynamical Density Functional Theory for One-Dimensional Brownian Hard-Rod Fluids
Jens Weimar, Daniel de las Heras, Martin Oettel
We study the relaxation dynamics of a one-dimensional system of hard rods at the level of one-body fields using superadiabatic dynamical density functional theory, and compare the…
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…
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…
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…