Combining classical arguments for the analysis of the simulated annealing algorithm with the more recent hypocoercive method of distorted entropy, we prove the convergence for large time of the kinetic Langevin annealing with logarithmic cooling schedule.

We provide an unsupervised adaptive sampling strategy capable of producing μs-timescale molecular dynamics (MD) simulations of large biosystems using many-body polarizable force fields (PFF). The global exploration problem is decomposed...