Idealised models

Idealised models usually consist of a simple intermolecular pair potential, whose purpose is often to study underlying physical phenomena, such as generalised phase diagrams and the study of phase transitions. It is entirely possible that a number of the models bear little or no resemblance to real molecular fluids.

Lattice models

• Barker-Fock model
• Blume-Emery-Griffiths model (including the Blume-Capel model)
• Bond fluctuation model
• Hard hexagon lattice model
• Hard square lattice model
• Henriques and Barbosa model
• Kagomé-lattice eight-vertex model
• Kratky-Porod model (also known as semiflexible worm-like chains)
• Lattice gas
• Lattice hard spheres
• Lebwohl-Lasher model
• Potts model
  • Ashkin-Teller model
  • Kac model
• Roberts and Debenedetti model
• RP(n-1) model
• N-vector model:
  • Self-avoiding walk model (n=0)
  • Ising Models (n=1)
  • XY model (n=2)
  • Heisenberg model (n=3)
• Toda lattice
• Triangular lattice ramp model

'Hard' models

• Hard core Lennard-Jones model
• Hard core Yukawa potential
• Hard cube model
• Hard ellipsoid model
  • Hard ellipse model
• Hard superball model
• 1-dimensional hard rods
• 3-dimensional hard rods
• Hard partial spherical surfaces
• Hard pentagon model
• Hard polyhedra model
• Hard sphere
  • Hard disks (in a two dimensional space)
  • Hard disks in a three dimensional space (including hard-cut spheres)
  • Hard hyperspheres
  • Dipolar hard spheres
• Hard spherocylinders
  • Charged hard spherocylinders
  • Oblate hard spherocylinders
• Hard spheroellipsoids
• Hard tetrahedron model
• Parallel hard cubes
• Quantum hard spheres
• Rough hard sphere model
• Sutherland potential
• Widom-Rowlinson model
• Zwanzig model

Multi-site models

• Branched hard sphere chains
• Flexible hard sphere chains (also known as the pearl-necklace model)
• Fused hard sphere chains
• Hard dumbbell model
  • Asymmetric hard dumbbell model
• Rigid fully flexible fused hard sphere model
• Tangent linear hard sphere chains
• Tetrahedral hard sphere model

Piecewise continuous models

• Buldyrev and Stanley model
• Harmonic repulsion potential
• Hemmer and Stell model
• Hertzian sphere model
• modified Lennard-Jones model
• Penetrable sphere model
• Penetrable square well model
• Pseudo hard sphere potential
• Ramp model (also known as the Jagla model)
• Square well model
  • 2-dimensional square well model
• Square well lines potential
• Square well spherocylinders
• Soft-core square well model
• Square shoulder model
• Square shoulder + square well model
  • Double square well model
• Sticky hard sphere model
• Triangular well model
• Soft sphere potential

Multi-site models

• Square well chains

'Soft' models

• Approximate non-conformal potential
• Born-Huggins-Meyer potential
• Buckingham potential
• Continuous shouldered well model
• Durian foam bubble model
• Exp-6 potential
• Fermi-Jagla model
• Flexible molecules (intramolecular interactions)
• Fomin potential
• Gaussian overlap model (including the Gaussian core model)
• Gay-Berne model
• Generalized exponential model
• Harmonic repulsion potential
• Intermolecular Interactions
• Kihara potential
• Lennard-Jones model (3D)
  • Lennard-Jones model in 1-dimension (rods)
  • Lennard-Jones model in 2-dimensions (disks)
  • Lennard-Jones model in 4-dimensions
  • Lennard-Jones sticks
  • modified Lennard-Jones model
  • n-6 Lennard-Jones potential
  • 8-6 Lennard-Jones potential
  • 9-3 Lennard-Jones potential
  • 9-6 Lennard-Jones potential
  • 200-100 Lennard-Jones potential
  • 10-4-3 Lennard-Jones potential
  • Soft-core Lennard-Jones model
  • Stockmayer potential
• Lennard-Jones-Gauss potential
• m-6-8 potential function
• Manning and Rosen potential
• Mie potential
• Morse potential
• Repulsive shoulder system with attractive well potential
• Rosen and Morse potential
• United-atom model
• Single site anisotropic soft-core potential
• Snub hexagonal model
• Soft-core square well model
• Soft sphere potential
• Soft sphere attractive Yukawa model
• Tietz potential
• Wei potential
• Yoshida and Kamakura model

Multi-site models

• Flexible Lennard-Jones chains
• Rigid linear Lennard-Jones chains
• Two center Lennard-Jones model
• Two center Lennard-Jones plus point dipole model
• Two center Lennard-Jones plus point quadrupole model

Patchy models

• Patchy particles
  • Kern and Frenkel patchy model
  • Modulated patchy Lennard-Jones model
  • Smith and Nezbeda associated fluid model
  • Russo-Tartaglia-Sciortino model

Charged or polar models

• Coulomb's law
• Charged hard dumbbells
• Charged hard spherocylinders
• Dipolar hard spheres
• Dipolar Janus particles
• Dipolar square wells
• Quadrupolar square wells
• Drude oscillators
• Keesom potential
• Quadrupolar hard spheres
• Quadrupolar Lennard-Jones model
• Restricted primitive model
• Shell model
• Soft primitive model
• Stockmayer potential
• Ultrasoft restricted primitive model

Three-body and many-body potentials

• Many-body interactions - a general discussion page.
• Axilrod-Teller interaction
• Keating potential
• Tersoff potential
• Stillinger-Weber potential

Metals

• Dzugutov potential
• Embedded atom model
• Finnis-Sinclair
• Gupta potential
• Sutton-Chen
• Z1 and Z2 potentials