Year: 2023
Type: article
Abstract: Rapid advances in quantum computing have opened up new opportunities for solving the central electronic structure problem in computational chemistry. In the noisy intermediate-scale quantum (NISQ) era, where qubit coherence times are limited, it is essential to exploit quantum algorithms with sufficiently short quantum circuits to maximize qubit efficiency. The procedural construction of hardware-efficient ansätze provides one approach to design such circuits. However, refining the accuracy of the global minimum by increasing circuit depth may lead to a proliferation of local minima that hinders global optimization. To investigate this phenomenon, we explore the energy landscapes of hardware-efficient circuits to identify ground-state energies of the hydrogen, lithium hydride, and beryllium hydride molecules. We also propose a simple dimensionality reduction procedure that reduces quantum gate depth while retaining high accuracy for the global minimum, simplifying the energy landscape, and hence speeding up optimization from both software and hardware perspectives.
Authors: Boy Choy, David J. Wales
Institutions: Nanyang Technological University, University of Cambridge
Language: English
Subfield: Artificial Intelligence
Field: Computer Science
Domain: Physical Sciences
Open Access status: hybrid
Estimated APC paid: $5,000
OpenAlex ID: W4319339967