5 papers
Gauge invariance and hyperforce correlation theory for equilibrium fluid mixtures
Joshua Matthes, Silas Robitschko, Johanna Müller +3
We formulate gauge invariance for the equilibrium statistical mechanics of classical multi-component systems. Species-resolved phase space shifting constitutes a gauge transformati…
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…
Dynamical gauge invariance of statistical mechanics
Johanna Müller, Florian Sammüller, Matthias Schmidt
We investigate gauge invariance against phase space shifting in nonequilibrium systems, as represented by time-dependent many-body Hamiltonians that drive an initial ensemble out o…
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…