Contextual subspace variational quantum eigensolver calculation of the dissociation curve of molecular nitrogen on a superconducting quantum computer.

ABSTRACT: We present an experimental demonstration of the Contextual Subspace Variational Quantum Eigensolver on superconducting hardware. Calculating the potential energy curve of molecular nitrogen proves challenging for many conventional quantum chemistry techniques, since static correlation dominates in the dissociation limit. Our quantum simulations retain good agreement with the Full Configuration Interaction energy, outperforming all benchmarked single-reference wavefunction techniques in capturing the bond-breaking appropriately. Moreover, our methodology is competitive with multiconfigurational approaches but at a saving of quantum resource, meaning larger active spaces can be treated for a fixed qubit allowance. To achieve this result, we deploy an error mitigation/suppression strategy com

SUBMITTER: Weaving T 

PROVIDER: S-EPMC11821530 | biostudies-literature | 2025

REPOSITORIES: biostudies-literature