22 citations · 158 across the 21 of their papers we have counts for
15 papers · 1 filter
Multivariate hyperdensity functional theory for inhomogeneous equilibrium fluids: From first principles to simulation-based machine learning
Florian Sammüller, Matthias Schmidt
Hyperdensity functional theory facilitates the investigation of the equilibrium behavior of a general order parameter or statistical mechanical observable in spatially inhomogeneou…
Entropy power functional theory for Brownian many-body dynamics
Matthias Schmidt
We present a formally exact variational scheme for the overdamped Brownian dynamics of pairwise interacting many-body systems in general spatiotemporal nonequilibrium. A joint free…
Entropy functional universality: Correlation, response, many-body interaction, multi-component, quantum, hyperfunctional, and Ornstein-Zernike structure
Matthias Schmidt
We give a comprehensive account of the recent entropy functional theory for the equilibrium statistical mechanics of classical many-body systems (arXiv:2606.28240). The approach is…
Entropy functional theory for inhomogeneous fluids
Matthias Schmidt
We present an exact variational scheme for the physics of inhomogeneous classical fluids in thermal equilibrium. A joint metadensity minimization principle is proven for the one-bo…
Nonequilibrium scaling of drag forces in counterdriven fluid mixtures
Jonas Köglmayr, Florian Sammüller, Matthias Schmidt
We address the effective nonequilibrium drag force field that emerges from the microscopic interparticle interactions in steady states of counterdriven binary fluid mixtures. Using…
Metadensity functional learning for classical fluids: Regularizing with pair correlations
Stefanie M. Kampa, Florian Sammüller, Matthias Schmidt
We investigate and exploit consequences of the recent neural metadensity functional theory [Kampa et al., Phys. Rev. Lett. 134, 107301 (2025), 10.1103/PhysRevLett.134.107301] for d…
Learning the bulk and interfacial physics of liquid-liquid phase separation with neural density functionals
Silas Robitschko, Florian Sammüller, Matthias Schmidt +1
We use simulation-based supervised machine learning and classical density functional theory to investigate bulk and interfacial phenomena associated with phase coexistence in binar…
Determining the chemical potential via universal density functional learning
Florian Sammüller, Matthias Schmidt
We demonstrate that the machine learning of density functionals allows one to determine simultaneously the equilibrium chemical potential across simulation datasets of inhomogeneou…
Why hyperdensity functionals describe any equilibrium observable
Florian Sammüller, Matthias Schmidt
We give an introductory account of the recent hyperdensity functional theory for the equilibrium statistical mechanics of soft matter systems [F. Sammüller et al., Phys. Rev. Lett.…
Metadensity functional theory for classical fluids: Extracting the pair potential
Stefanie M. Kampa, Florian Sammüller, Matthias Schmidt +1
The excess free energy functional of classical density functional theory depends upon the type of fluid model, specifically on the choice of (pair) potential, is unknown in general…
Neural density functional theory of liquid-gas phase coexistence
Florian Sammüller, Matthias Schmidt, Robert Evans
We use supervised machine learning together with the concepts of classical density functional theory to investigate the effects of interparticle attraction on the pair structure, t…
Neural density functionals: Local learning and pair-correlation matching
Florian Sammüller, Matthias Schmidt
Recently Dijkman et al. (arXiv:2403.15007) proposed training classical neural density functionals via bulk pair-correlation matching. We show their method to be an efficient regula…
Hyper-density functional theory of soft matter
Florian Sammüller, Silas Robitschko, Sophie Hermann +1
We present a scheme for investigating arbitrary thermal observables in spatially inhomogeneous equilibrium many-body systems. Extending the grand canonical ensemble yields any give…
Noether invariance theory for the equilibrium force structure of soft matter
Sophie Hermann, Florian Sammüller, Matthias Schmidt
We give details and derivations for the Noether invariance theory that characterizes the spatial equilibrium structure of inhomogeneous classical many-body systems, as recently pro…
Why neural functionals suit statistical mechanics
Florian Sammüller, Sophie Hermann, Matthias Schmidt
We describe recent progress in the statistical mechanical description of many-body systems via machine learning combined with concepts from density functional theory and many-body…