We derived analytical expressions for the error and efficiency of enhanced sampling methods such as parallel tempering and replica exchange using kinetic network models.

We developed a new implementation of the finite temperature string method coupled with Hamiltonian replica exchange to study coupled proton transfer steps in RNase H.

Recently, we developed a novel Markov chain-based analysis method, DHAM, for accurate calculation of kinetic rates in addition to free energies from biased or unbiased molecular simulations.