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At least 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Nonvariational ADAPT algorithm for quantum simulations

We explore a nonvariational quantum state preparation approach combined with the ADAPT operator selection strategy in the application of preparing the ground state of a desired target Hamiltonian. In this algorithm, energy gradient measurements determine both the operators and the gate parameters in the quantum circuit construction. We compare this nonvariational algorithm with ADAPT-VQE and with feedback-based quantum algorithms in terms of the rate of energy reduction, the circuit depth, and the measurement cost in molecular simulation. We find that, despite using deeper circuits, this new algorithm reaches chemical accuracy at a similar measurement cost to ADAPT-VQE. Since it does not rely on a classical optimization subroutine, it may provide robustness against circuit parameter errors due to imperfect control or gate synthesis.

Tang'S, Ho Lun [Virginia Polytechnic Inst. and Sta↗
DOE OSTI2021

Bennett-Brassard 1984 quantum key distribution using conjugate homodyne detection

Optical homodyne detection has been widely used in continuous-variable (CV) quantum information processing for measuring field quadrature. In this paper we explore the possibility of operating a conjugate homodyne detection system in “photon counting” mode to implement discrete-variable (DV) quantum key distribution (QKD). A conjugate homodyne detection system, which consists of a beam splitter followed by two optical homodyne detectors, can simultaneously measure a pair of conjugate quadratures X and P of the incoming quantum state. In classical electrodynamics, X 2 + P 2 is proportional to the energy (the photon number) of the input light. In quantum optics, X and P do not commute and thus the above photon-number measurement is intrinsically noisy. This implies that a blind application of standard security proofs of QKD could result in pessimistic performance. We overcome this obstacle by taking advantage of two special features of the proposed detection scheme. First, the fundamental detection noise associated with vacuum fluctuations cannot be manipulated by an external adversary. Second, the ability to reconstruct the photon number distribution at the receiver's end can place additional constraints on possible attacks from the adversary. As an example, we study the security of the BB84 QKD using conjugate homodyne detection and evaluate its performance through numerical simulations. This study may open the door to a family of QKD protocols, complementary to the well-established DV-QKD based on single-photon detection and CV-QKD based on coherent detection.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Scalability Analysis of Quantum Models for Stress and Emotion Detection

Stress and emotion detection from high-dimensional physiological signals is a challenging task, particularly when aiming for accurate classification across diverse behavioral states. Quantum machine learning (QML) is promising for modeling such high-dimensional data, but scalability is limited by qubit resources and the exponential cost of classical statevector simulation. This work studies the scalability of quantum support vector machines (QSVMs) for binary stress detection and three-class emotion recognition (Negative/Neutral/Positive) under varying qubit counts and angle-encoding strategies. We also present a comparison study with one-feature-per-qubit (1:1) and two-features-per-qubit (2:1) mappings. Experiments are executed on HPC infrastructure using NVIDIA CUDA-Q to evaluate performance, variance, and class-dependent separability at higher-qubit setups. Results show that larger Hilbert spaces can improve peak accuracy but may increase instability. At the same time, dense 2:1 encoding yields more consistent stress detection performance. For emotion recognition, scaling improves discrimination for classes like Negative and Positive more than Neutral. We find that effective QML scaling is task-dependent and benefits more from encoding design than simply increasing qubit count.

Onim, Md. Saif Hassan [University of Tennessee, Kn↗
DOE OSTI2025

All-optical control of charge-trapping defects in rare-earth doped oxides

Abstract Charge-trapping defects in crystalline solids play important roles in applications ranging from microelectronics, optical storage, sensing and quantum technologies. On one hand, depleting trapped charges in the host matrix reduces charge noise and enhances coherence of solid-state quantum emitters. On the other hand, stable charge traps can enable high-density optical storage systems. Here we report all-optical control of charge-trapping defects via optical charge trapping (OCT) spectroscopy of a rare-earth ion doped oxide (Y 2 O 3 ). Charge trapping is realized by low intensity optical excitation in the 200–375 nm range. Charge detrapping or depletion is carried out by optically stimulated luminescence (OSL) under 532 nm stimulation. Using a Pr-doped Y 2 O 3 polycrystalline ceramic host matrix, we observe charging pathways via the inter-band optical absorption of Y 2 O 3 and via the 4f-5d transitions of Pr 3+ . We demonstrate effective control of the density of trapped charges within the Y 2 O 3 matrix at ambient environment. These results point to a viable method for controlling the local charge environment in rare-earth doped crystals via all-optical means, and pave the way for further development of efficient optical storage technologies with ultrahigh storage capacity, as well as for the localized control of quantum coherence in rare-earth doped solids.

França, Leonardo V. S. [Pritzker School of Molecul↗
DOE OSTI2025

Possible evidence of excitonic condensation in a topological insulator

The transient excitonic condensate is a nonequilibrium electron-hole Bardeen-Cooper-Schrieffer state in a photoexcited semiconductor and semimetal, where electron-hole pairs undergo a phase transition and condense into a single coherent quantum state. Despite numerous experimental works to realize the predicted excitonic condensation phase, experimental evidence still remains elusive. This is largely due to the absence of direct measurements of a material's transient momentum-dependent electronic structure and the excitonic state in the condensation regime. Here, using time and angle-resolved photoemission spectroscopy, we find direct evidence of a transient excitonic condensate in the spin-polarized spatially indirect excitonic topological states in Bi2Te3. Accompanying the formation of the excitonic topological states by photoexcitation, we reveal a splitting of the hole's and electron's quasi-equilibrium chemical potential followed by the band flattening and backbending of the transient topological surface state. Moreover, within the same momentum range, we report a reshaping of the bulk valence band in the form of a Mexican-hat-like Bogoliubov dispersion-hallmarks of the excitonic condensation, followed by the opening of an energy gap at the Fermi level. The fluence and temperature dependence of these renormalization effects are reminiscent of excitonic condensation within Bardeen-Cooper-Schrieffer (BCS)-like behavior. These results, together with theoretical simulation, point to the possible formation of a transient excitonic condensate and provide opportunities to manipulate topologically protected Bose condensates with light.

ARPES↗
DOE OSTI2026

From Quantum Time to Manifestly Covariant QFT: On the Need for a Quantum-Action-Based Quantization

In quantum time (QT) schemes, time is promoted to a degree of freedom, allowing Lorentz covariance to be made explicit for single particles. We ask whether this can be lifted to QFT so that Lorentz covariance becomes manifest at the Hilbert-space level, rather than being hidden as in the standard canonical formulation. We address this question by proposing a second-quantized approach in which the elementary particle is the QT particle itself, leading naturally to the notion of spacetime field algebras and of quantum action. We show, however, that a naive many-body construction runs into inconsistencies. To pinpoint their origin we introduce a classical counterpart of the second-quantized formalism, spacetime classical mechanics (SCM), and prove a no-go theorem: Dirac quantization of SCM collapses back to standard QFT and therefore hides covariance. We circumvent this problem by presenting a quantum-action-based quantization that yields a spacetime version of quantum mechanics (SQM), making covariance manifest for (interacting) QFTs. Finally, we show that this resolution is tied to a genuine spacetime generalization of the notion of a quantum state, required by causality and closely connected to recent “states over time” proposals and, in dS/CFT–motivated settings, to microscopic notions of timelike entanglement and emergent time.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Deciphering and Manipulating Low Dimensional Magnetism

This program investigates the electronic structure and collective quantum phenomena of correlated magnetic materials using advanced angle-resolved photoemission spectroscopy (ARPES) and complementary probes, with a focus on three interrelated material families: (i) the semiconducting van der Waals magnet Cr₂Ge₂Te₆, (ii) metallic Fe-based van der Waals magnets including Fe₃GeTe₂ Fe₃GaTe₂, and Fe5GeTe₂, and (iii) kagome magnets such as FeGe, FeSn, and CsV₃Sb₅/CsCr₃Sb₅. In Cr₂Ge₂Te₆, our work established how spin excitations develop across a dimensional crossover as spins establish correlation to form long range order, providing a clean platform to isolate correlation effects. In metallic Fe-based magnets, we uncovered the dichotomy between flat and dispersive bands, revealed momentum-dependent electronic reconstructions tied to magnetic order, and demonstrated reversible, non-volatile electronic switching near room temperature, highlighting the strong coupling among spin, charge, and lattice degrees of freedom in metallic ferromagnets. In kagome magnets, we identified charge density wave formation, symmetry breaking, flat-band renormalization, and field-induced momentum-dependent electronic anisotropy, elucidating how geometric frustration and electronic correlations conspire to generate emergent quantum states. Collectively, these results establish a unified microscopic framework for understanding correlation-driven electronic reconstruction, symmetry breaking, and collective order across semiconducting and metallic magnetic systems, advancing DOE mission goals in quantum materials discovery and control.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1993

Harmonic oscillator interaction with squeezed radiation

Although the problem of electromagnetic radiation by a quantum harmonic oscillator is considered in textbooks on quantum mechanics, some of its aspects have remained unclear until now. By this, we mean that usually the initial quantum states of both the oscillator and the field are assumed to be characterized by a definite energy level of the oscillator and definite occupation numbers of the field modes. In connection with growing interest in squeezed states, it would be interesting to analyze the general case when the initial states of both subsystems are arbitrary superpositions of energy eigenstates. This problem was considered in other work, where the power of the spontaneous emission was calculated in the case of an arbitrary oscillator's initial state, but the field was initially in a vacuum state. In the present article, we calculate the rate of the oscillator average energy, squeezing, and correlation parameter change under the influence of an arbitrary external radiation field. Some other problems relating to the interaction between quantum particles (atoms) or oscillators where the electromagnetic radiation is an arbitrary (in particular squeezed) state were investigated.

Dodonov, V. V.↗
DOE OSTI2025

The structure of quantum singularities on a Cauchy horizon

Spacetime singularities pose a long-standing puzzle in quantum gravity. Unlike Schwarzschild, a generic family of black holes gives rise to a Cauchy horizon on which, even in the Hartle-Hawking state, quantum observables such as ⟨T μν ⟩ — the expectation value of the stress-energy tensor — can diverge, causing a breakdown of semiclassical gravity. Because they are diagnosed within quantum field theory (QFT) on a smooth background, these singularities may provide a better-controlled version of the spacetime singularity problem, and merit further study. Here, I highlight a mildness puzzle of Cauchy horizon singularities: the ⟨T μν ⟩ singularity is significantly milder than expected from symmetry and dimensional analysis. I address the puzzle in a simple spacetime ${\mathcal{W}}_P$, which arises universally near all black hole Cauchy horizons: the past of a codimension-two spacelike plane in flat spacetime. Specifically, I propose an extremely broad QFT construction in which, roughly speaking, Cauchy horizon singularities originate from operator insertions in the causal complement of the spacetime. The construction reproduces well-known outer horizon singularities (e.g., in the Boulware state), and remarkably, when applied to ${\mathcal{W}}_P$, gives rise to a universal mild singularity structure for robust singularities, ones whose leading singular behavior is state-independent. I make non-trivial predictions for all black hole Cauchy horizon singularities using this, and discuss extending the results beyond robust singularities and the strict near Cauchy horizon limit.

black holes↗
DOE OSTI2020

Emergence of superconductivity in doped multiorbital Hubbard chains

Abstract We introduce a variational state for one-dimensional two-orbital Hubbard models that intuitively explains the recent computational discovery of pairing in these systems when hole doped. Our ansatz is an optimized linear superposition of Affleck–Kennedy–Lieb–Tasaki valence-bond states, rendering the combination a valence-bond liquid dubbed orbital resonant valence bond. We show that the undoped (one-electron/orbital) quantum state of two sites coupled into a global spin singlet is exactly written employing only spin-1/2 singlets linking orbitals at nearest-neighbor sites. Generalizing to longer chains defines our variational state visualized geometrically expressing our chain as a two-leg ladder, with one orbital per leg. As in Anderson’s resonating valence-bond state, our undoped variational state contains preformed singlet pairs that via doping become mobile, leading to superconductivity. Doped real materials with one-dimensional substructures, two near-degenerate orbitals, and intermediate Hubbard U / W strengths— W the carrier’s bandwidth—could realize spin-singlet pairing if on-site anisotropies are small. If these anisotropies are robust, spin-triplet pairing emerges.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Biocompatible surface functionalization architecture for a diamond quantum sensor

Significance Diamond-based quantum sensing enables nanoscale measurements of biological systems with unprecedented sensitivity. Potential applications of this emerging technology range from the investigation of fundamental biological processes to the development of next-generation medical diagnostics devices. One of the main challenges faced by bioquantum sensing is the need to interface quantum sensors with biological target systems. Specifically, such an interface needs to maintain the highly fragile quantum states of our sensor and at the same time be able to fish intact biomolecules out of solution and immobilize them on our quantum sensor surface. Our work overcomes these challenges by combining tools from quantum engineering, single-molecule biophysics, and material processing.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Breath analysis by ultra-sensitive broadband laser spectroscopy detects SARS-CoV-2 infection

Rapid testing is essential to fighting pandemics such as coronavirus disease 2019 (COVID-19), the disease caused by the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Exhaled human breath contains multiple volatile molecules providing powerful potential for non-invasive diagnosis of diverse medical conditions. We investigated breath detection of SARS-CoV-2 infection using cavity-enhanced direct frequency comb spectroscopy (CE-DFCS), a state-of-the-art laser spectroscopic technique capable of a real-time massive collection of broadband molecular absorption features at ro-vibrational quantum state resolution and at parts-per-trillion volume detection sensitivity. Using a total of 170 individual breath samples (83 positive and 87 negative with SARS-CoV-2 based on reverse transcription polymerase chain reaction tests), we report excellent discrimination capability for SARS-CoV-2 infection with an area under the receiver-operating-characteristics curve of 0.849(4). Our results support the development of CE-DFCS as an alternative, rapid, non-invasive test for COVID-19 and highlight its remarkable potential for optical diagnoses of diverse biological conditions and disease states.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Classical field approximation of ultralight dark matter: Quantum break times, corrections, and decoherence

The classical field approximation is widely used to better understand the predictions of ultralight dark matter. Here, in this work, we use the truncated Wigner approximation method to test the classical field approximation of ultralight dark matter. This method approximates a quantum state as an ensemble of independently evolving realizations drawn from its Wigner function. The method is highly parallelizable and allows the direct simulation of quantum corrections and decoherence times in systems many times larger than have been previously studied in reference to ultralight dark matter. Our study involves simulation of systems in 1, 2, and 3 spatial dimensions. We simulate three systems, the condensation of a Gaussian random field in three spatial dimensions, a stable collapsed object in three spatial dimensions, and the merging of two stable objects in two spatial dimensions. We study the quantum corrections to the classical field theory in each case. We find that quantum corrections grow exponentially during nonlinear growth with the timescale being approximately equal to the system dynamical time. In stable systems the corrections grow quadratically. We also find that the primary effect of quantum corrections is to reduce the amplitude of fluctuations on the de Broglie scale in the spatial density. Finally, we find that the timescale associated with decoherence due to gravitational coupling to baryonic matter is at least as fast as the quantum corrections due to gravitational interactions. These results are consistent with the predictions of the classical field theory being accurate.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Efficient Estimation of Pauli Observables by Derandomization

In this work, we consider the problem of jointly estimating expectation values of many Pauli observables, a crucial subroutine in variational quantum algorithms. Starting with randomized measurements, we propose an efficient derandomization procedure that iteratively replaces random single-qubit measurements by fixed Pauli measurements; the resulting deterministic measurement procedure is guaranteed to perform at least as well as the randomized one. In particular, for estimating any L low-weight Pauli observables, a deterministic measurement on only of order log(L) copies of a quantum state suffices. In some cases, for example, when some of the Pauli observables have high weight, the derandomized procedure is substantially better than the randomized one. Specifically, numerical experiments highlight the advantages of our derandomized protocol over various previous methods for estimating the ground-state energies of small molecules.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Hybrid quantum nanophotonic devices with color centers in nanodiamonds [Invited]

Optically active color centers in nanodiamonds offer unique opportunities for generating and manipulating quantum states of light. These mechanically, chemically, and optically robust emitters can be produced in mass quantities, deterministically manipulated, and integrated with a variety of quantum device geometries and photonic material platforms. Nanodiamonds with deeply sub-wavelength sizes coupled to nanophotonic structures feature a giant enhancement of light-matter interaction, promising high bitrates in quantum photonic systems. We review the recent advances in controlled techniques for synthesizing, selecting, and manipulating nanodiamond-based color centers for their integration with quantum nanophotonic devices.

Sahoo, Swetapadma (ORCID:0000000179281391)↗
DOE OSTI2020

Spin-orbit quantum impurity in a topological magnet

Quantum states induced by single-atomic impurities are at the frontier of physics and material science. While such states have been reported in high-temperature superconductors and dilute magnetic semiconductors, they are unexplored in topological magnets which can feature spin-orbit tunability. Here we use spin-polarized scanning tunneling microscopy/spectroscopy (STM/S) to study the engineered quantum impurity in a topological magnet Co 3 Sn 2 S 2 . We find that each substituted In impurity introduces a striking localized bound state. Our systematic magnetization-polarized probe reveals that this bound state is spin-down polarized, in lock with a negative orbital magnetization. Moreover, the magnetic bound states of neighboring impurities interact to form quantized orbitals, exhibiting an intriguing spin-orbit splitting, analogous to the splitting of the topological fermion line. Our work collectively demonstrates the strong spin-orbit effect of the single-atomic impurity at the quantum level, suggesting that a nonmagnetic impurity can introduce spin-orbit coupled magnetic resonance in topological magnets.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Shubnikov–de Haas oscillations reaching the quantum limit in two-dimensional electron systems at SrTi⁢O 3 (111) interfaces

Transition metal oxides in the (111) orientation have been predicted to harbor topological phases and unconventional quantum states because of their hexagonal crystal symmetry and strong interactions between charge, spin, and orbital degrees of freedom. We report Shubnikov–de Haas oscillations into the quantum limit at magnetic fields up to 35 T in high-mobility (>20 000 c⁢m 2 V −1 s −1 ) two-dimensional electron liquids at (111)-oriented SrTi⁢O 3 interfaces with controllable carrier densities. Spin splitting is observed at low Landau levels, which is attributed to the interplay between the Zeeman splitting and Rashba spin-orbit coupling according to our theoretical modeling, yielding Landé factor 𝑔 = 0.29 and Rashba coefficient 𝛼 = 0.6 meV nm. Furthermore, at high magnetic field after the system reaches the lowest Landau level, the temperature dependence of the resistance shows a metallic to insulating state transition with the magnetoresistance changing significantly from a primarily quadratic to a large linear field dependence.

Magnetoresistance↗