Dawei Lu, University of Science and Technology of China
Abstract:
Quantum computers have been proved to be able to mimic quantum systems efficiently in polynomial time. Quantum chemistry problems, such as static molecular energy calculation and dynamical chemical reaction simulation, become very intractable on classical computers with the system scaling up. Therefore, quantum simulation is a feasible and effective approach to tackle quantum chemistry problems. Proof-of-principle experiments have been implemented on the calculation of the hydrogen molecular energies and the one-dimensional chemical isomerization reaction dynamics using nuclear magnetic resonance (NMR) systems. We anticipate that in the near future quantum simulation will become a powerful tool for quantum chemistry over classical computations.