## Free energy related method - Parallel tempering: perform MC or MD simulations at different temperatures, swapping between these temperatures as needed. (High $T$, it's easier to cross the energy barrier) - Canonical adiabatic free energy sampling: perform an adiabatic dynamics in a subset of the variables at high temp. - Non-eq methods: Jarzynski's method using finite length (non-adiabatic) measurements of the work needed to go from A to B. - Transition path sampling: Generate an ensemble of (dynamic) trajectories that all pass via the transition state, going from state A to B. >[!Info] >See more on: >parallel tempering: https://en.wikipedia.org/wiki/Parallel_tempering, quite some packages and software support this method. >Transition path sampling: https://en.wikipedia.org/wiki/Transition_path_sampling. >