Ideally, it makes more sense to simulate those multitudes of molecular properties and behaviors on a computer, exploring and analyzing promising options before physical prototyping begins. But there’s the rub. Even for simple molecules like caffeine – a favored human energizer comprised of carbon, hydrogen, nitrogen, and oxygen – the number of quantum states in the molecule, of electrons interacting among the system of four basic elements, can be enormous.

https://www.ibm.com/quantum-computing/use-case/daimler/