  The goal of inverse (quantum) approaches is to devise methods and approaches
capable of efficiently searching chemical space in such a way that the design
of novel materials and compounds with specific properties is as direct and
efficient as possible. Here, we review the current state of the field with a
focus on the most recent developments. We discuss the importance of heuristic
rules and human intuition for rational compound design. Moreover, we elaborate
on options for reliable uncertainty quantification for computational results,
which is crucial for a truly predictive application of any in silico method.

Chemical Physics;Materials Science;Computational Physics