Quantum advantage refers to the point at which a quantum computer solves a clearly defined task faster or more efficiently than any classical computer—or makes it solvable in the first place. For many practical applications, this has not yet been demonstrated. Research therefore relies heavily on theoretical models and simulations to explore where and under what conditions such an advantage may realistically be achieved in the future.
Quantum simulation is considered a promising path toward genuine quantum advantage.
However, many existing approaches in quantum chemistry rely on simplifying assumptions: They describe molecules as closed systems perfectly isolated from their environment, model only unitary dynamics and focus on calculating ground states within the Born-Oppenheimer approximation. In nature, none of these assumptions fully hold.





