Quantum computation of silicon electronic band structure

Frank Cerasoli, Kyle Sherbert, Jagoda Sławińska, Marco Buongiorno Nardelli*

*Corresponding author for this work

Research output: Contribution to journalArticleAcademicpeer-review

12 Citations (Scopus)
183 Downloads (Pure)


Development of quantum architectures during the last decade has inspired hybrid classical-quantum algorithms in physics and quantum chemistry that promise simulations of fermionic systems beyond the capability of modern classical computers, even before the era of quantum computing fully arrives. Strong research efforts have been recently made to obtain minimal depth quantum circuits which could accurately represent chemical systems. Here, we show that unprecedented methods used in quantum chemistry, designed to simulate molecules on quantum processors, can be extended to calculate properties of periodic solids. In particular, we present minimal depth circuits implementing the variational quantum eigensolver algorithm and successfully use it to compute the band structure of silicon on a quantum machine for the first time. We are convinced that the presented quantum experiments performed on cloud-based platforms will stimulate more intense studies towards scalable electronic structure computation of advanced quantum materials. This journal is

Original languageEnglish
Pages (from-to)21816-21822
Number of pages7
JournalPhysical Chemistry Chemical Physics
Issue number38
Early online date15-Sept-2020
Publication statusPublished - 2020

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