Metadynamics (MetaD) is a molecular simulation technique to study the thermodynamics and mechanism of rare events . It involves introducing a time-dependent bias potential to the system being simulated, which acts to push the system out of local energy minima and explore a wider range of possible configurations. This helps uncover poorly explored regions of configuration space that might not be easily accessible using traditional molecular dynamics simulations. MetaD is one among many methods in which sampling is enhanced by adaptively perturbing the original Hamiltonian of the system by introducing a bias potential, a seminal idea historically introduced with Umbrella Sampling. In MetaD such a potential is adaptively constructed as a sum of Gaussian kernels defined in a low-dimensional set of collective variables (CVs), usually indicated as 𝐬. CVs are formulated as continuous and differentiable functions of the microscopic coordinates of a system. In recent years, several adaptations of MetaD have been proposed, the most relevant being Well-Tempered metadynamics (WTmetaD) introduced by Barducci et al. In WTmetaD, the external repulsive potential is iteratively updated as: