Resource Estimation for <scp>VQE</scp> on Small Molecules: Impact of Fermion Mappings and Hamiltonian Reductions
, relative to the corresponding unreduced Hamiltonian representations within the same active-space configuration for the representative set of molecular systems under study. These findings provide practical circuit-level insights for executing chemically relevant simulations on NISQ hardware, while establishing physical-resource baselines that may inform future logical-level analyses targeting FASQ systems.
Authors
- P. Sai Shankar
- Ruchika Bhat (ORCID: https://orcid.org/0000-0002-5477-4410)
- Rahul Maitra (ORCID: https://orcid.org/0000-0002-3255-3115)
- Vikas Dattatraya Ghevade
- Jaiganesh Gnana Sekaran (ORCID: https://orcid.org/0000-0002-4421-1382)
- K. S. V. Anurag (ORCID: https://orcid.org/0000-0002-8891-3685)
- V. Raghavendra
- Ashish Kumar Patra
Institutions
- University of Arizona (US)
- SRM Institute of Science and Technology (IN)
- Indian Institute of Technology Bombay (IN)
Publication Details
- Journal
- Journal of Computational Chemistry
- Published
- 2026-04-22
- DOI
- https://doi.org/10.1002/jcc.70379
- Primary Topic
- Quantum Computing Algorithms and Architecture
- Type
- article
- Field-Weighted Citation Impact
- 0.00