Vacancies in graphene: An application of adiabatic quantum optimization

Virginia Carnevali, Ilaria Siloi, Rosa Di Felice, Marco Fornari

Research output: Contribution to journalArticlepeer-review

3 Scopus citations

Abstract

Quantum annealers have grown in complexity to the point that quantum computations involving a few thousand qubits are now possible. In this paper, with the intentions to show the feasibility of quantum annealing to tackle problems of physical relevance, we used a simple model, compatible with the capability of current quantum annealers, to study the relative stability of graphene vacancy defects. By mapping the crucial interactions that dominate carbon-vacancy interchange onto a quadratic unconstrained binary optimization problem, our approach exploits the ground state as well as the excited states found by the quantum annealer to extract all the possible arrangements of multiple defects on the graphene sheet together with their relative formation energies. This approach reproduces known results and provides a stepping stone towards applications of quantum annealing to problems of physical-chemical interest.

Original languageEnglish
Pages (from-to)27332-27337
Number of pages6
JournalPhysical Chemistry Chemical Physics
Volume22
Issue number46
DOIs
StatePublished - Dec 14 2020

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