Toward Quantum Computing with Molecular Electronics

J Chem Theory Comput. 2022 Jun 14;18(6):3318-3326. doi: 10.1021/acs.jctc.2c00162. Epub 2022 May 10.

Abstract

In this study, we explore the use of molecules and molecular electronics for quantum computing. We construct one-qubit gates using one-electron scattering in molecules and two-qubit controlled-phase gates using electron-electron scattering along metallic leads. Furthermore, we propose a class of circuit implementations, and show initial applications of the framework by illustrating one-qubit gates using the molecular electronic structure of molecular hydrogen as a baseline model.