Thermodynamic integration

ID: 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.

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