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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Quantum Spin Ice in Three-Dimensional Rydberg Atom Arrays

Quantum spin liquids are exotic phases of matter whose low-energy physics is described as the deconfined phase of an emergent gauge theory. With recent theory proposals and an experiment showing preliminary signs of Z 2 topological order [G. Semeghini , ], Rydberg atom arrays have emerged as a promising platform to realize a quantum spin liquid. In this work, we propose a way to realize a U(1) quantum spin liquid in three spatial dimensions, described by the deconfined phase of U(1) gauge theory in a pyrochlore lattice Rydberg atom array. We study the ground state phase diagram of the proposed Rydberg system as a function of experimentally relevant parameters. Within our calculation, we find that by tuning the Rabi frequency, one can access both the confinement-deconfinement transition driven by a proliferation of “magnetic” monopoles and the Higgs transition driven by a proliferation of “electric” charges of the emergent gauge theory. We suggest experimental probes for distinguishing the deconfined phase from ordered phases. This work serves as a proposal to access a confinement-deconfinement transition in three spatial dimensions on a Rydberg-based quantum simulator. Published by the American Physical Society 2025

Shah, Jeet (ORCID:0000000158738129)↗
DOE OSTI2025

Superspin renormalization and slow relaxation in random spin systems

We develop an excited-state real-space renormalization group (RSRG-X) formalism to describe the dynamics of conserved densities in randomly interacting spin-12 systems. Our formalism is suitable for systems with U(1) and Z2 symmetries, and we apply it to chains of randomly positioned spins with dipolar XX+YY interactions, as arise in Rydberg quantum simulators and other platforms. The formalism generates a sequence of effective Hamiltonians that provide approximate descriptions for dynamics on successively smaller energy scales. These effective Hamiltonians involve “superspins”: two-level collective degrees of freedom constructed from (anti)aligned microscopic spins. Conserved densities can then be understood as relaxing via coherent collective spin flips. For the well-studied simpler case of randomly interacting nearest-neighbor XX+YY chains, the superspins reduce to single spins. Our formalism also leads to a numerical method capable of simulating the dynamics up to an otherwise inaccessible combination of large system size and late time. Focusing on disorder-averaged infinite-temperature autocorrelation functions, in particular the spin survival probability Sp¯(t), we demonstrate quantitative agreement between our algorithm and exact diagonalization (ED) at low but nonzero frequencies. Such agreement holds for chains with nearest-neighbor, next-nearest-neighbor, and long-range dipolar interactions. Our results indicate decay of Sp¯(t) slower than any power law and feature no significant deviation from the ∼1/ln2(t) asymptote expected from the infinite-randomness fixed-point of the nearest-neighbor model. We also apply the RSRG-X formalism to two-dimensional long-range systems of moderate size and find slow late-time decay of Sp¯(t).

Zhao, Yi J↗
DOE OSTI2025

Benchmarking and Fidelity Response Theory of High-Fidelity Rydberg Entangling Gates

The fidelity of entangling operations is a key figure of merit in quantum information processing, especially in the context of quantum error correction. High-fidelity entangling gates in neutral atoms have seen remarkable advancement recently. A full understanding of error sources and their respective contributions to gate infidelity will enable the prediction of fundamental limits on quantum gates in neutral atom platforms with realistic experimental constraints. In this work, we implement the time-optimal Rydberg controlled-Z (CZ) gate, design a circuit to benchmark its fidelity, and achieve a fidelity, averaged over symmetric input states, of 0.9971 ( 5 ) , downward corrected for leakage error, which together with our recent work [Nature 634, 321–327 (2024)] forms a new state of the art for neutral atoms. The remaining infidelity is explained by an error model, consistent with our experimental results over a range of gate speeds, with varying contributions from different error sources. Further, we develop a fidelity response theory to efficiently predict infidelity from laser noise with nontrivial power spectral densities and derive scaling laws of infidelity with gate speed. Besides its capability of predicting gate fidelity, we also utilize the fidelity response theory to compare and optimize gate protocols, to learn laser frequency noise, and to study the noise response for quantum simulation tasks. Finally, we predict that a CZ gate fidelity of ≳ 0.999 is feasible with realistic experimental upgrades. Published by the American Physical Society 2025

Tsai, Richard Bing-Shiun (ORCID:0000000286758677)↗
DOE OSTI2025

Computational Performance Bounds Prediction in Quantum Computing With Unstable Noise

Quantum computing has significantly advanced in recent years, boasting devices with hundreds of quantum bits (qubits), hinting at its potential quantum advantage over classical computing. Yet, noise in quantum devices poses significant barriers to realizing this supremacy. Understanding noise’s impact is crucial for reproducibility and application reuse; moreover, the next-generation quantum-centric supercomputing essentially requires efficient and accurate noise characterization to support system management (e.g., job scheduling), where ensuring correct functional performance (i.e., fidelity) of jobs on available quantum devices can even be higher-priority than traditional objectives. However, noise fluctuates over time, even on the same quantum device, which makes predicting the computational bounds for on-the-fly noise is vital. Noisy quantum simulation can offer insights but faces efficiency and scalability issues. Here, in this work, we propose a data-driven workflow, namely QuBound, to predict computational performance bounds. It decomposes historical performance traces to isolate noise sources and devises a novel encoder to embed circuit and noise information processed by a Long Short-Term Memory (LSTM) network. For evaluation, we compare QuBound with a state-of-the-art learning-based predictor, which only generates a single performance value instead of a bound. Experimental results show that the result of the existing approach falls outside of performance bounds, while all predictions from our QuBound with the assistance of performance decomposition better fit the bounds. Moreover, QuBound can efficiently produce practical bounds for various circuits with over 106 speedup over simulation; in addition, the range from QuBound is over 10× narrower than the state-of-the-art analytical approach.

Li, Jinyang [George Mason Univ., Fairfax, VA (Unit↗
DOE OSTI2025

Nanoscale engineering and dynamic stabilization of mesoscopic spin textures

Thermalization, while ubiquitous in physics, has traditionally been viewed as an obstacle to be mitigated. In contrast, we demonstrate here the use of thermalization in the generation, control, and readout of “shell-like” spin textures with interacting 13 C nuclear spins in diamond, wherein spins are polarized oppositely on either side of a critical radius. The textures span several nanometers and encompass many hundred spins; they are created and interrogated without manipulating the nuclear spins individually. Long-time stabilization is achieved via prethermalization to a Floquet-engineered Hamiltonian under the electronic gradient field: The texture is therefore metastable and robust against spin diffusion. This enables the state to endure over multiple minutes before it decays. Our work on spin-state engineering paves the way for applications in quantum simulation and nanoscale imaging.

42 ENGINEERING↗
DOE OSTI2025

Engineered chirality of one-dimensional nanowires

The origin and function of chirality in DNA, proteins, and other building blocks of life represent a central question in biology. Observations of spin polarization and magnetization associated with electron transport through chiral molecules, known collectively as the chiral induced spin selectivity effect, suggest that chirality improves electron transfer. Using reconfigurable nanoscale control over conductivity at the LaAlO 3 /SrTiO 3 interface, we create chiral electron potentials that explicitly lack mirror symmetry. Quantum transport measurements on these chiral nanowires reveal enhanced electron pairing persisting to high magnetic fields (up to 18 tesla) and oscillatory transmission resonances as functions of both magnetic field and chemical potential. We interpret these resonances as arising from an engineered axial spin-orbit interaction within the chiral region. The ability to create one-dimensional electron waveguides with this specificity creates opportunities to test, via analog quantum simulation, theories about chirality and spin-polarized electron transport in one-dimensional geometries.

Science & Technology - Other Topics↗
DOE OSTI2025

Harnessing Quantum Information Science for Enhancing Sensors in Harsh Fossil Energy Environments

The main goals of this project are to utilize real-time quantum dynamics simulations and quantum optimal control algorithms to (1) harness near-surface nitrogen vacancy (NV) centers to detect chemical analytes in harsh fossil energy environments, and (2) design optimally constructed electromagnetic fields for initializing these near-surface NV center spins for efficient sensor performance and detectivity.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2026

Ab initio Molecular Dynamics Beyond Density Functional Theory

The funding from this award supported the development of new theoretical methods that both increase the accuracy of quantum simulations beyond that of density functional theory, as well as reduce the cost of such simulations, for example, through machine learning and algorithmic improvements. The improvements lead to, in some cases, orders of magnitude increases in simulation speed as well as orders of magnitude increase in accuracy, compared to before this work was started. This translates to both greater certainty in making predictions about chemical phenomena that are currently studied computationally, as well as laying the ground-work for the study of new areas of chemistry that have not traditionally been simulated, because of the new time-scales and accuracies that can be reached.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Pulse control of superconducting cavity-based qudits with a Fock-state basis

Fock-basis-encoding qudits allow quantum gates to operate on multiple qudit levels simultaneously. This capability is advantageous for applications involving complex local gate operations, such as the digital quantum simulation of non-Abelian gauge theories. However, compiling unitary operations to native qudit gates remains a challenging task, often requiring substantial computational resources. In this work, we theoretically investigate the direct pulse control of a superconducting radio-frequency cavity coupled to an ancilla transmon for gate synthesis. We will discuss the improvements and limitations applicable to high Fock states. This work paves the way toward more efficient and robust qudit-gate synthesis.

Li, Andy C.Y. [Fermilab] (ORCID:0000000345423739)↗
DOE OSTI2026

Pulse control of superconducting cavity-based qudits with a Fock-state basis

Fock-basis-encoding qudits allow quantum gates to operate on multiple qudit levels simultaneously. This capability is advantageous for applications involving complex local gate operations, such as the digital quantum simulation of non-Abelian gauge theories. However, compiling unitary operations to native qudit gates remains a challenging task, often requiring substantial computational resources. In this work, we theoretically investigate the direct pulse control of a superconducting radio-frequency cavity coupled to an ancilla transmon for gate synthesis. We will discuss the improvements and limitations applicable to high Fock states. This work paves the way toward more efficient and robust qudit-gate synthesis.

Li, Andy C.Y. [Fermilab] (ORCID:0000000345423739)↗
DOE OSTI2025

Quantum Software Engineering (Dagstuhl Seminar 24512)

The Dagstuhl Seminar 24512 on "Quantum Software Engineering" was held from December 15 to 20, 2024. It brought together 26 participants from industry and academia from 13 different countries, including senior and junior researchers as well as practitioners in the field of Quantum Software Engineering. The aim of the seminar was to advance software engineering methods and tools for the engineering of hybrid quantum systems by promoting personal interaction and open discussion among researchers who are already working in this emerging area of knowledge. The first day of the seminar was devoted to the topic "When software engineering meets quantum mechanics", while the second day focused on "Quantum software engineering and its challenges." During both days, 16 invited presentations were given. The rest of the seminar was organized into three working groups to address the topics "Quantum Software Design, Modelling and Architecturing", "Adaptive Hybrid Quantum Systems", and "Quantum Software Quality Assurance". The seminar was a very fruitful experience for all participants both in terms of scientific outcomes and in terms of the personal relationships that were generated to jointly address future experiences.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Robustness of Kardar-Parisi-Zhang-like transport in long-range interacting quantum spin chains

Isotropic integrable spin chains such as the Heisenberg model feature superdiffusive spin transport belonging to an as-yet-unidentified dynamical universality class closely related to that of Kardar, Parisi, and Zhang (KPZ). To determine whether these results extend to more generic one-dimensional models, particularly those realizable in quantum simulators, we investigate spin and energy transport in non-integrable, long-range Heisenberg models using state-of-the-art tensor network methods. Despite the lack of integrability and the asymptotic expectation of diffusion, for power-law models (with exponent 2<α<∞) we observe long-lived z=3/2 superdiffusive spin transport and two-point correlators consistent with KPZ scaling functions, up to times t∼103/J. We conjecture that this KPZ-like transport is due to the proximity of such power-law-interacting models to the integrable family of Inozemtsev models, which we show to also exhibit KPZ-like spin transport across all interaction ranges. Finally, we consider anisotropic spin models naturally realized in Rydberg atom arrays and ultracold polar molecules, demonstrating that a wide range of long-lived, non-diffusive transport can be observed in experimental settings.

Anand↗
NASA NTRS2022

Simultaneous Stoquasticity

Stoquastic Hamiltonians play a role in the computational complexity of the local Hamiltonian problem as well as the study of classical simulability. In particular, stoquastic Hamiltonians can be straightforwardly simulated using Monte Carlo techniques. We address the question of whether two or more Hamiltonians may be made simultaneously stoquastic via a unitary transformation. This question has important implications for the complexity of simulating quantum annealing where quantum advantage is related to the stoquasticity of the Hamiltonians involved in the anneal. We find that for almost all problems no such unitary exists and show that the problem of determining the existence of such a unitary is equivalent to identifying if there is a solution to a system of polynomial (in)equalities in the matrix elements of the initial and transformed Hamiltonians. Solving such a system of equations is NP-hard. We highlight a geometric understanding of this problem in terms of a collection of generalized Bloch vectors.

Jacob Bringewatt↗
NASA NTRSDate not supplied

Simultaneous Stoquasticity

Stoquastic Hamiltonians play a role in the computational complexity of the local Hamiltonian problem as well as the study of classical simulability. In particular, stoquastic Hamiltonians can be straightforwardly simulated using Monte Carlo techniques. We address the question of whether two or more Hamiltonians may be made simultaneously stoquastic via a unitary transformation. This question has important implications for the complexity of simulating quantum annealing where quantum advantage is related to the stoquasticity of the Hamiltonians involved in the anneal. We find that for almost all problems no such unitary exists and show that the problem of determining the existence of such a unitary is equivalent to identifying if there is a solution to a system of polynomial (in)equalities in the matrix elements of the initial and transformed Hamiltonians. Solving such a system of equations is NP-hard. We highlight a geometric understanding of this problem in terms of a collection of generalized Bloch vectors.

Monte Carlo↗
DOE OSTI2025

Primitive Quantum Gates for an $SU(3)$ Discrete Subgroup: $Σ(72\times3)$

We construct a primitive gate set for the digital quantum simulation of a discrete subgroup of $SU(3)$: the 216-element $Σ(72\times3)$. The necessary primitives are the inversion gate, the group multiplication gate, the trace gate, and the group Fourier transform, for which we provide qubit decompositions. The resulting fault-tolerant T gate costs for a fiducial calculation of shear viscosity would require about $10^{12}$ T gates which compares favorably to other modern estimates.

Perez, Sebastian Osorio [Fermilab; Maryland U.]↗
DOE OSTI2026

No Quantum Utility from Hadron Masses? No, Quantum Utility from Hadron Masses!

Is there a quantum utility in establishing the masses of hadrons? Here we show that the best response is that of Farrés, Capó, and Davis: perhaps, perhaps, perhaps. This is interesting given the general case that particle physics demands quantum computers. For stable hadrons, classical LQCD has achieved sub-percent precision with no sign problem, and quantum computers offer no advantage. For resonances, the Maiani-Testa theorem is an obstruction that quantum simulation is immune to. For nuclei, Wick contractions and signal-to-noise are genuine classical barriers. Underlying these cases is a unified picture connecting the sign problem to Wigner negativity and T gate cost. This manuscript was drafted from extensive interaction with \textsc{Claude}.

Lamm, Henry [Fermilab] (ORCID:0000000330330791)↗
DOE OSTI2026

Ether of Orbifolds

The orbifold lattice has been proposed as a route to practical quantum simulation of Yang--Mills theory, with claims of exponential speedup over all known approaches. Through analytical derivations, Monte Carlo simulation, and explicit circuit construction, we identify compounding costs entirely absent in Kogut--Susskind formulations: a mass-dependent Trotter overhead that scales as $m^4$, non-singlet contamination that grows as $m^2$ and worsens with penalty terms, and a mandatory mass extrapolation. Monte Carlo simulations of SU(3) establish a universal scaling: the continuum limit forces $m^2 \propto 1/a$, binding the Trotter step to the lattice spacing through a cost unique to orbifolds. For a fiducial $10^3$ calculation, the orbifold is $10^4$--$10^{10}$ times more expensive than every published alternative. These results indicate that the claimed computational advantages do not at present survive quantitative scrutiny.

Lamm, Henry [Fermilab] (ORCID:0000000330330791)↗
NASA NTRS2015

Instantons in Quantum Annealing: Thermally Assisted Tunneling Vs Quantum Monte Carlo Simulations

Recent numerical result (arXiv:1512.02206) from Google suggested that the D-Wave quantum annealer may have an asymptotic speed-up than simulated annealing, however, the asymptotic advantage disappears when it is compared to quantum Monte Carlo (a classical algorithm despite its name). We show analytically that the asymptotic scaling of quantum tunneling is exactly the same as the escape rate in quantum Monte Carlo for a class of problems. Thus, the Google result might be explained in our framework. We also found that the transition state in quantum Monte Carlo corresponds to the instanton solution in quantum tunneling problems, which is observed in numerical simulations.

Quantum Monte Carlo↗