based on functional molecules, formulations or solid-state compounds requires many – often hundreds – subsequent synthesis, formulation and testing steps to yield the desired specifications. Simulations are a powerful tool to decrease the time-to-market and decrease cost for R&D and product development cycles, but can’t be used in an efficient way in many cases or is simply not advanced enough to tackle certain problems. Shifting from conventional to quantum computers promises to overcome these hurdles, but is not yet available for the chemical and pharmaceutical industry.