15 skills found
feos-org / FeosFeOs - A Framework for Equations of State and Classical Density Functional Theory
droundy / Deftclassical density-functional theory
marykcoe / CDFT PackageA python package for classical Density Functional Theory (cDFT). This package allows you to find the equilibrium density profile of an inhomogeneous one-component hard-sphere or truncated Lennard-Jones fluid in contact with a smooth planar surface, smooth solute or confined within a slit with smooth walls. These surfaces and solutes can be hard or feature attractions with the fluid. This package uses Fundamental Measure Theory and supports the Rosenfeld, White-Bear and White-Bear Mark II functionals.
elvissoares / PyDFTljAn python script implementation to solve classical Density Functional Theory for Lennard-Jones fluids on 1D and 3D geometries
nbwilding / DFTA classical Density Functional Theory code to calculate the properties of hard spheres or Lennard-Jones particles in planar geometry i.e. near an infinite hard or soft wall.
sfalmo / NeuralDFT TutorialNeural functional theory for inhomogeneous fluids - Tutorial
ShangChunLin / ML CDFTmachine learning method for approximating free energy functional under classical density functional theory framework
sfalmo / NeuralDFTNeural functional theory for inhomogeneous fluids: Fundamentals and applications
thomasunderwood / CDFTAttempt to learn classical density functional theory (FMT) of inhomogeneous fluids.
mphoward / FlyftA simple Python solver for one-dimensional classical density functional theory.
elvissoares / PyFMTA python implementation of the Fundamental Measure Theory for hard-sphere mixture in classical Density Functional Theory
singlebook / Project CDFTThis is an ongoing project. A classical density functional theory code.
thermotools / SurfPackClassical density functional theory (DFT) for Helmholtz free energy functionals implmented in Thermopack
elvissoares / PyDFTsalrAn python library for calculations using the classical Density Functional Theory (cDFT) for SALR (Short-Range Attraction and Long-Range Repulsion) fluids in 3D geometries.
sfalmo / Neural AttractionNeural density functional theory of liquid-gas phase coexistence
