Issue 38, 2020

Quantum computation of silicon electronic band structure

Abstract

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.

Graphical abstract: Quantum computation of silicon electronic band structure

Article information

Article type
Paper
Submitted
30 jul 2020
Accepted
15 set 2020
First published
15 set 2020

Phys. Chem. Chem. Phys., 2020,22, 21816-21822

Author version available

Quantum computation of silicon electronic band structure

F. T. Cerasoli, K. Sherbert, J. Sławińska and M. Buongiorno Nardelli, Phys. Chem. Chem. Phys., 2020, 22, 21816 DOI: 10.1039/D0CP04008H

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