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@classical-DFT-lab

classical-DFT-lab

cDFT LAB
●─f₁₂─●∘

Our logo is a Mayer f-bond, $f_{12}=e^{-\beta u(r_{12})}-1$, with continuation into the many-body fluid.

Classical density functional theory (cDFT) & learned functionals for fluids.

  • Physics-first: variational structure, nonlocality, reproducible numerics.
  • Learning augments the baseline; it does not replace the physics.
  • Focus: bridging particle and continuum scales.

Repositories

  • Paper artefacts: reproducible scripts/configs to regenerate figures & tables.
  • Core toolbox: solvers, reference functionals, discretisation utilities.
  • Learned components: constrained corrections (kernels, EOS scalers, parameter maps).

Reference

  • Learning Density Functionals to Bridge Particle and Continuum Scales (Monti, Yatsyshin, et al.)

Maintainers

  • Peter Yatsyshin
  • Edoardo Monti

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    Classical density functional theory & learned functionals for fluids

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