A Full Quantum Eigensolver for Quantum Chemistry Simulations

Understand

Quantum simulation of quantum chemistry is one of the most compelling applications of quantum computing.

• It is of particular importance in areas ranging from materials science, biochemistry and condensed matter physics.
• Here, we propose a full quantum eigensolver (FQE) algorithm to calculate the molecular ground energies and electronic structures using quantum gradient descent.
• Compared to existing classical-quantum hybrid methods such as variational quantum eigensolver (VQE), our method removes the classical optimizer and performs all the calculations on a quantum computer with faster convergence.