Quantum computing for chemistry in noisy intermediate-scale quantum era

Quantum computers represent one of the biggest technological promises of nowadays since they offer an enormous computational power with the potential to exponentially speed-up solution of certain types of problems. Finding the ground (and low-lying) electronic states of molecules, which is the fundamental task of quantum chemistry, is one such problem. In spite of the fact that present-day and near-term quantum computers (so called NISQ devices) cannot implement the robust quantum error correction, they still offer important computational advantages. Aim of this project is to develop novel multiscale quantum-classical algorithms which will tremendously extend the applicability of NISQ devices and in a long run contribute to turning the quantum computational chemistry into a practical field. The developed algorithms will be tested by numerical simulations on classical computers and eventually also by proof-of- concept quantum simulations on available quantum devices.