Energy contour exploration with potentiostatic kinematics

We introduce a method of exploring potential energy contours in complex dynamical systems based on potentiostatic kinematics wherein the are evolved with minimal changes to their energy. construct simple iterative algorithm for performing kinematics, which uses an estimate curvature predict new configurations space coordinates contour and potentiostat term component correct errors prediction. Our methods then applied atomic structure models using interatomic force evaluations as would commonly be invoked molecular dynamics simulation. Using several model systems, we assess stability accuracy different hyperparameters implementation kinematics. is open source available within Atomic Simulation Environment (ASE) package