TEORICAS

• Perturbation theory of liquids.
• Integral equations.
• Cell theory of the solid state.
• Wertheim's thermodynamic perturbation theory (TPT1), also denoted as SAFT.
• Numerical determination of virial coefficients (second, third..)

SIMULACION

• Monte Carlo of rigid molecules in the NVT,NPT and grand canonical ensembles.
• Gibbs ensemble
• Gibbs-Duhem
• Ewald sums
• Configurational bias of flexible molecules, including the possibility of branching.
• Free energy calculations of solids by the Einstein crystal technique.
• Histogram reweighting.
• Parrallel Monte Carlo (with Open MP) .