arXiv subjects

Kevin M. Obenland

Publications and source records attributed to Kevin M. Obenland.

5 recordsLinked to original sources

arXiv2026

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

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.

quant-ph↗

arXiv2025

Quantum computing for corrosion-resistant materials and anti-corrosive coatings design

Corrosion is a pervasive issue that impacts the structural integrity and performance of materials across various industries, imposing a significant economic impact globally. In fields like aerospace and defense, developing corrosion-resistant materials is critical, but progress is often hindered by the complexities of material-environment interactions. While computational methods have advanced in designing corrosion inhibitors and corrosion-resistant materials, they fall short in understanding the fundamental corrosion mechanisms due to the highly correlated nature of the systems involved. This paper explores the potential of leveraging quantum computing to accelerate the design of corrosion inhibitors and corrosion-resistant materials, with a particular focus on magnesium and niobium alloys. We investigate the quantum computing resources required for high-fidelity electronic ground-state energy estimation (GSEE), which will be used in our hybrid classical-quantum workflow. Representative computational models for magnesium and niobium alloys show that 2292 to 38598 logical qubits and $(1.04$ to $1962) \times 10^{13}$ T-gates are required for simulating the ground-state energy of these systems under the first quantization encoding using plane waves basis.

quant-ph↗

arXiv1998

Simulating the Effect of Decoherence and Inaccuracies on a Quantum Computer

A Quantum Computer is a new type of computer which can solve problems such as factoring and database search very efficiently. The usefulness of a quantum computer is limited by the effect of two different types of errors, decoherence and inaccuracies. In this paper we show the results of simulations of a quantum computer which consider both decoherence and inaccuracies. We simulate circuits which factor the numbers 15, 21, 35, and 57 as well as circuits which use database search to solve the circuit satisfaction problem. Our simulations show that the error rate per gate is on the order of 10^-6 for a trapped ion quantum computer whose noise is kept below pi/4096 per gate and with a decoherence rate of 10^-6. This is an important bound because previous studies have shown that a quantum computer can factor more efficiently than a classical computer if the error rate is of order 10^-6.

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arXiv1998

A Parallel Quantum Computer Simulator

A Quantum Computer is a new type of computer which can efficiently solve complex problems such as prime factorization. A quantum computer threatens the security of public key encryption systems because these systems rely on the fact that prime factorization is computationally difficult. Errors limit the effectiveness of quantum computers. Because of the exponential nature of quantum com puters, simulating the effect of errors on them requires a vast amount of processing and memory resources. In this paper we describe a parallel simulator which accesses the feasibility of quantum computers. We also derive and validate an analytical model of execution time for the simulator, which shows that parallel quantum computer simulation is very scalable.

quant-ph↗

arXiv1997

Models to Reduce the Complexity of Simulating a Quantum Computer

Recently Quantum Computation has generated a lot of interest due to the discovery of a quantum algorithm which can factor large numbers in polynomial time. The usefulness of a quantum com puter is limited by the effect of errors. Simulation is a useful tool for determining the feasibility of quantum computers in the presence of errors. The size of a quantum computer that can be simulat ed is small because faithfully modeling a quantum computer requires an exponential amount of storage and number of operations. In this paper we define simulation models to study the feasibility of quantum computers. The most detailed of these models is based directly on a proposed imple mentation. We also define less detailed models which are exponentially less complex but still pro duce accurate results. Finally we show that the two different types of errors, decoherence and inaccuracies, are uncorrelated. This decreases the number of simulations which must be per formed.

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