Bond-breaking Bohmian metadynamics simulations

Here, we present a parametrization of the metadynamics simulations for reactions involving breaking the chemical bonds along a single collective variable coordinate. The parameterization is based on the similarity between the bias potential in metadynamics and the quantum potential in the De~Broglie-Bohm formalism. We derive the method and test it on two prototypical reaction types: proton transfer and Diels-Alder reaction.