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Determining the Chemical Potential via Universal Density Functional Learning

Florian Sammüller* and Matthias Schmidt†

  • *Contact author: florian.sammueller@uni-bayreuth.de
  • †Contact author: matthias.schmidt@uni-bayreuth.de

Gauge invariance and hyperforce correlation theory for equilibrium fluid mixtures

Joshua Matthes, Silas Robitschko, Johanna Müller, Sophie Hermann, Florian Sammüller, and Matthias Schmidt

The Journal of Chemical Physics 164 044903 (2026)

A unified machine-learning framework for ab initio multiscale modeling of liquids

Anna T. Bui and Stephen J. Cox

Proc. Natl. Acad. Sci. U.S.A. 123 e2610049123 (2026)

Spherical Metadensity Functional Learning for Inhomogeneous Classical Fluids

Stefanie M. Kampa, Matthias Schmidt, and Florian Sammüller

Journal of Chemical Theory and Computation 22 9371 (2026)

Metadensity Functional Learning for Classical Fluids: Regularizing with Pair Correlations

Stefanie M. Kampa, Florian Sammüller, and Matthias Schmidt

J. Phys. Chem. B 130 6231 (2026)

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