statistical-thermodynamic

There are 0 repository under statistical-thermodynamic topic.

• LESC-Unicamp / Monte-Carlo-Mixtures-of-Ellipsoids-Spherocylinders-Cylinders

  This is a NVT/NPT-Monte Carlo algorithm designed to evaluate the thermodynamic behavior of mixtures of some hard convex bodies: ellipsoids of revolution, spherocylinders, and cylinders.

  molecular-simulationmonte-carlo-simulationstatistical-mechanicsstatistical-thermodynamic
  Language:Fortran 2

• lexin-chen / StatThermo

  stat thermo concepts in code

  algorithmspythonstatistical-thermodynamic
  Language:Jupyter Notebook 2

• Mauro-Prencipe / QM-thermodynamics

  Computation of thermodynamic properties of crystals from ab initio calculation of static energies and vibrational frequencies.

  thermodynamicsstatistical-thermodynamicquantum-mechanicsequation-of-statecompressibilitythermal-expansiongibbs-free-energymineral-equilibriaphase-transitions
  Language:Jupyter Notebook 0