(QCxQC) Dr. V. S. Prasannaa: Quantum Simulation using the Variational Quantum Eigensolver Algorithm
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Full Talk Title: Quantum Simulation using the Variational Quantum Eigensolver Algorithm: Hardware-efficient versus unitary coupled-cluster ansatz
Authors: Sumeet, V.S. Prasannaa, B.K. Sahoo and B.P. Das
Abstract: The classical-quantum hybrid Variational Quantum Eigensolver (VQE) algorithm is considered well suited to obtain ground state energies of atoms and molecules in the Noisy Intermediate Scale Quantum computing era. An extremely important component of the VQE algorithm is the choice of a suitable ansatz for the trial wave function. In this expository work, we choose atomic systems, which also finds several applications like molecules but have received little attention until now in quantum simulation studies, as our test systems. We compare the atomic energies obtained from quantum simulation of the VQE algorithm that employs the unitary coupled-cluster wave function and a hardware-efficient ansatz, namely the RyRz variational form. The former is expected to set the bar from a quantum many-body theoretic point of view, whereas the latter is more practical due to the minimal resources that it consumes. We also carry out surveys on the influence of other modules of the VQE algorithm such as the choice of fermion to qubit mapping and atomic basis functions. Apart from that we also investigate expressibility and entanglement capacity of various ansatz used for VQE algorithm.
Note: Some of the UCC results (for Be and B+) are incorrect, and the corrected results can be found in the link: https://www.mdpi.com/2624-960X/4/2/12
The corrections for Mg and Al+ results are underway.