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
- Roberts and Debenedetti model
- RP(n-1) model
- N-vector or O(N) 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 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
- Hard spheroellipsoids
- Hard tetrahedron model
- Hard triangular prism 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
- 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
- Square well lines potential
- Square well spherocylinders
- Soft-core square well model
- Square shoulder model
- Square shoulder + square well model
- Sticky hard sphere model
- Triangular well model
- Soft sphere potential
Multi-site models
'Soft' models
- 3-petal rose potential
- 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
- Uhlenbeck-Ford model
- Wei potential
- Yoshida and Kamakura model
Multi-site models
- Chiral tetramer model
- 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
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