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Learned free-energy functionals from pair-correlation matching for dynamical density functional theory

Karnik Ram1,2,*, Jacobus Dijkman3,4, René van Roij5, Jan-Willem van de Meent4, Bernd Ensing3, Max Welling4, and Daniel Cremers1,2

  • 1School of Computation, Information and Technology, TU Munich, Munich, Germany
  • 2Munich Center for Machine Learning, Munich, Germany
  • 3Van't Hoff Institute for Molecular Sciences, University of Amsterdam, Amsterdam, the Netherlands
  • 4Informatics Institute, University of Amsterdam, Amsterdam, the Netherlands
  • 5Institute for Theoretical Physics, Utrecht University, Utrecht, the Netherlands

  • *Contact author: karnik.ram@tum.de

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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