  Quantum mechanical methods have been devised for the elucidation and
clarification of reaction paths of chemical processes over decades. While they
are typically deployed in routine calculations on systems for which some
insights have already been gained, new algorithms and ever increasing computer
hardware capabilities allow now for exploratory open-ended computational
campaigns that bear the option for unexpected discoveries and the systematic
approach toward uncharted territory of molecular transformations and dynamics.
In this work, we discuss the current state of the art of such exploratory
techniques.
