Quantum machine learning for electronic structure calculations.

ABSTRACT: Considering recent advancements and successes in the development of efficient quantum algorithms for electronic structure calculations-alongside impressive results using machine learning techniques for computation-hybridizing quantum computing with machine learning for the intent of performing electronic structure calculations is a natural progression. Here we report a hybrid quantum algorithm employing a restricted Boltzmann machine to obtain accurate molecular potential energy surfaces. By exploiting a quantum algorithm to help optimize the underlying objective function, we obtained an efficient procedure for the calculation of the electronic ground state energy for a small molecule system. Our approach achieves high accuracy for the ground state energy for H₂, LiH, H₂

SUBMITTER: Xia R 

PROVIDER: S-EPMC6180079 | biostudies-literature | 2018 Oct

REPOSITORIES: biostudies-literature