Prospects for Quantum Computation in Propellant Design: Assessing the Stability of Cyclic Ozone in Nanoscale Confinement

[2408.13244] Prospects for Quantum Computation in Propellant Design: Assessing the Stability of Cyclic Ozone in Nanoscale Confinement Skip to main content Search Submit Donate Log in Search arXiv Press Enter to search · Advanced search Quantum Physics arXiv:2408.13244 (quant-ph) [Submitted on 23 Aug 2024 ( v1 ), last revised 17 Aug 2026 (this version, v2)] Title: Prospects for Quantum Computation in Propellant Design: Assessing the Stability of Cyclic Ozone in Nanoscale Confinement Authors: Thomas W. Watts , Matthew Otten , Jason T. Necaise , Nam Nguyen , Benjamin Link , Kristen S. Williams , Yuval R. Sanders , Samuel J. Elman , Maria Kieferova , Michael J. Bremner , Kaitlyn J. Morrell , Justin E. Elenewski , Samuel D. Johnson , Luke Mathieson , Kevin M. Obenland , Rashmi Sundareswara , Adam Holmes View a PDF of the paper titled Prospects for Quantum Computation in Propellant Design: Assessing the Stability of Cyclic Ozone in Nanoscale Confinement, by Thomas W. Watts and 16 other authors View PDF HTML (experimental) Abstract: Cyclic ozone additives have the potential to markedly increase the specific impulse of rocket fuel. This would translate to greater efficiency and reduced costs for space lift by granting more payload per rocket. While practical efforts to capture this isomer have been unsuccessful, it is possible that cyclic ozone would be stabilized in confined geometries. The required synthetic methods are nonetheless difficult to design and require theory-driven inputs that lie beyond the scope of classical methods. Quantum computation has the potential to enable these calculations, though the underlying hardware requirements remain unclear for many practical applications. We present an end-to-end analysis of how quantum methods could support efforts to isolate cyclic ozone via fullerene encapsulation. Our discussion extends beyond asymptotic complexity, reporting both logical- and physical-level resource estimates for ground-state energy determination via quantum phase estimation (QPE), computed using multiple independent resource estimation stacks - Azure Quantum Resource Estimator (AzureQRE), PennyLane's resource estimation framework, and MIT Lincoln Lab's pyLIQTR toolkit - to cross-check resource estimates and bracket realistic overheads. Taken collectively, these data delineate a plausible scale for realistic, computationally-aided molecular design efforts using fault-tolerant quantum computation. Subjects: Quantum Physics (quant-ph) Cite as: arXiv:2408.13244 [quant-ph] (or arXiv:2408.13244v2 [quant-ph] for this version) https://doi.org/10.48550/arXiv.2408.13244 Focus to learn more arXiv-issued DOI via DataCite Submission history From: Thomas Watts [ view email ] [v1] Fri, 23 Aug 2024 17:38:44 UTC (13,406 KB) [v2] Mon, 17 Aug 2026 00:57:41 UTC (4,571 KB) Full-text links: Access Paper: View a PDF of the paper titled Prospects for Quantum Computation in Propellant Design: Assessing the Stability of Cyclic Ozone in Nanoscale Confinement, by Thomas W. Watts and 16 other authors View PDF HTML (experimental) TeX Source view license Current browse context: quant-ph < prev | next > new | recent | 2024-08 References & Citations INSPIRE HEP NASA ADS Google Scholar Semantic Scholar export BibTeX citation Loading... BibTeX formatted citation × loading... 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