Thermodynamic integration (source code)

= Thermodynamic integration
{wiki=Thermodynamic_integration}

Thermodynamic integration is a computational method used in statistical mechanics and thermodynamics to compute free energy differences between two states of a system. It is particularly useful for systems where direct calculation of the free energy is challenging. The basic principle of thermodynamic integration involves gradually changing a parameter that defines the system's Hamiltonian from one state to another, while integrating over a specified path in the parameter space.