Search NASA⌕ Search

SEARCH · Search NASA

Results for “quantum control”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Dynamic Competition between Hubbard and Superexchange Interactions Selectively Localizes Electrons and Holes through Polarons

Controlling the effects of photoexcited polarons in transition metal oxides can enable the long time-scale charge separation necessary for renewable energy applications and controlling new quantum phases through dynamically tunable electron–phonon coupling. In previously studied transition metal oxides, polaron formation is facilitated by a photoexcited ligand-to-metal charge transfer (LMCT). When the polaron is formed, oxygen atoms move away from iron centers, which increases carrier localization at the metal center and decreases charge hopping. Studies of yttrium iron garnet and erbium iron oxide have suggested that strong electron and spin correlations can modulate photoexcited polaron formation. To understand the interplay between strong spin and electronic correlations in highly polar materials, we studied gadolinium iron oxide (GdFeO 3 ), which selectively forms photoexcited polarons through an Fe–O–Fe superexchange interaction. Excitation-wavelength-dependent transient extreme ultraviolet (XUV) spectroscopy selectively excites LMCT and metal-to-metal charge transfer (MMCT) transitions. Here, the LMCT transition suppresses photoexcited polaron formation due to the balance between superexchange and Hubbard interactions, while MMCT transitions result in photoexcited polaron formation within 250 ± 40 fs. Ab initio theory demonstrates that electron and hole polarons localize on iron centers following MMCT. In addition to understanding how strong electronic and spin correlations can control strong electron–phonon coupling, these experiments separately measure electron and hole polaron interactions on neighboring metal centers for the first time, providing insight into a large range of charge-transfer and Mott–Hubbard insulators.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Manipulating and Probing Ultrafast Atomic and Molecular Dynamics (Final Report)

This program has focused on the exploration and control of dynamics in atoms, small molecules, clusters, and micro- or nano-structures following ultrafast excitation and/or driven by strong oscillating fields. In our principal experiments, gas phase atoms and molecules were exposed to short pulses of electromagnetic radiation with frequencies ranging from THz into the XUV spectral regions, and with durations from picoseconds to attoseconds. The pulses coherently induce and/or probe dynamics in the electronic, vibrational, and rotational degrees of freedom of the targets. The overarching goal of the various projects has been to exploit strong-field processes and/or implement novel ultrafast techniques for manipulating and probing coherent electronic and nuclear motion. Typically, the relevant system evolution occurs over attosecond to picosecond timescales. In doing so, we have gained a more complete picture of correlated multi-particle dynamics in atoms, molecules, and other complex systems and expanded the toolbox of useful techniques for manipulating and probing those dynamics. Grant funds were primarily used to: (i) pay salaries and fringe benefits for the PI and postdocs and stipends, tuition, and health care costs for graduate students; (ii) cover travel expenses for the PI, postdocs, and students to attend and participate in professional meetings, conferences, and workshops; and (iii) purchase research materials, supplies, and equipment required for experiments. The research resulted in the publication of 24 peer reviewed articles (including 1 in Nature Physics, 2 in Nature Communications, 7 in Physical Review Letters, and 12 in Physical Review A), and 4 PhD dissertations. The specific results from different funding periods are summarized separately in the main report.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Gravitational causality and the self-stress of photons

We study causality in gravitational systems beyond the classical limit. Using on-shell methods, we consider the 1-loop corrections from charged particles to the photon energy-momentum tensor — the self-stress — that controls the quantum interaction between two on-shell photons and one off-shell graviton. The self-stress determines in turn the phase shift and time delay in the scattering of photons against a spectator particle of any spin in the eikonal regime. We show that the sign of the β-function associated to the running gauge coupling is related to the sign of time delay at small impact parameter. Our results show that, at first post-Minkowskian order, asymptotic causality, where the time delay experienced by any particle must be positive, is respected quantum mechanically. Contrasted with asymptotic causality, we explore a local notion of causality, where the time delay is longer than the one of gravitons, which is seemingly violated by quantum effects.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Controlled Formation of Stacked Si Quantum Dots in Vertical SiGe Nanowires

In this work, we demonstrate the ability to fabricate vertically stacked Si quantum dots (QDs) within SiGe nanowires with QD diameters down to 2 nm. These QDs are formed during high-temperature dry oxidation of Si/SiGe heterostructure pillars, during which Ge diffuses along the pillars’ sidewalls and encapsulates the Si layers. Continued oxidation results in QDs with sizes dependent on oxidation time. The formation of a Ge-rich shell that encapsulates the Si QDs is observed, a configuration which is confirmed to be thermodynamically favorable with molecular dynamics and density functional theory. The type-II band alignment of the Si dot/SiGe pillar suggests that charge trapping on the Si QDs is possible, and electron energy loss spectra show that a conduction band offset of at least 200 meV is maintained for even the smallest Si QDs. Our approach is compatible with current Si-based manufacturing processes, offering a new avenue for realizing Si QD devices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2021

Tunable Cr 4+ Molecular Color Centers

The inherent atomistic precision of synthetic chemistry enables bottom-up structural control over quantum bits, or qubits, for quantum technologies. Tuning paramagnetic molecular qubits that feature optical-spin initialization and readout is a crucial step toward designing bespoke qubits for applications in quantum sensing, networking, and computing. In this work, we demonstrate that the electronic structure that enables optical-spin initialization and readout for S = 1, Cr(aryl) 4 , where aryl = 2,4-dimethylphenyl (1), o-tolyl (2), and 2,3-dimethylphenyl (3), is readily translated into Cr(alkyl) 4 compounds, where alkyl = 2,2,2-triphenylethyl (4), (trimethylsilyl)methyl (5), and cyclohexyl (6). The small ground state zero field splitting values (<5 GHz) for 1–6 allowed for coherent spin manipulation at X-band microwave frequency, enabling temperature-, concentration-, and orientation-dependent investigations of the spin dynamics. Electronic absorption and emission spectroscopy confirmed the desired electronic structures for 4–6, which exhibit photoluminescence from 897 to 923 nm, while theoretical calculations elucidated the varied bonding interactions of the aryl and alkyl Cr 4+ compounds. The combined experimental and theoretical comparison of Cr(aryl) 4 and Cr(alkyl) 4 systems illustrates the impact of the ligand field on both the ground state spin structure and excited state manifold, laying the groundwork for the design of structurally precise optically addressable molecular qubits.

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

Bridge Connectivity Dictates Spin Interactions and Triplet Pair Dynamics in Intramolecular Singlet Fission

Electron spin plays a critical role in determining the structure, dynamics, and reactivities of molecular excited states, including multiexciton processes such as singlet fission. These systems exhibit triplet pair states whose excited state dynamics can be widely tuned through molecular engineering. For example, the electronic coupling between covalently linked chromophores can be readily modulated using chemical bridges to control proximity, quantum interference, or resonance effects. However, less is known about how spin coupling interactions are impacted by chromophore architecture, and how this influences triplet pair recombination dynamics. Here, in this study, we investigate the role of bridge connectivity and chromophore identity in modulating interchromophore exchange and dipolar coupling interactions for a series of pentacene and tetracene dimers bridged by alternant hydrocarbons (phenylene, naphthalene, anthracene). Using both time-resolved electron paramagnetic resonance and transient absorption spectroscopy, we find that the boundedness and recombination pathways of the triplet pair spins are highly sensitive to molecular architecture and chromophore-specific magnetic dipolar interactions. Notably, nominally ferromagnetic and antiferromagnetic eigenstates result in distinct spin state orderings, consistent with predictions from quantum interference-based graphical models. These findings establish new design principles for tuning spin dynamics in iSF materials, with implications for photonic and quantum information applications.

He, Guiying [City Univ. of New York (CUNY), NY (Un↗
DOE OSTI2025

Magnetically confined surface and bulk excitons in a layered antiferromagnet

The discovery of two-dimensional van der Waals magnets has greatly expanded our ability to create and control nanoscale quantum phases. A unique capability emerges when a two-dimensional magnet is also a semiconductor that features tightly bound excitons with large oscillator strengths that fundamentally determine the optical response and are tunable with magnetic fields. Here, in this study, we report a previously unidentified type of optical excitation-a magnetic surface exciton-enabled by the antiferromagnetic spin correlations that confine excitons to the surface of CrSBr. Magnetic surface excitons exhibit stronger Coulomb attraction, leading to a higher binding energy than excitons confined in bulk layers, and profoundly alter the optical response of few-layer crystals. Distinct magnetic confinement of surface and bulk excitons is established by layer- and temperature-dependent exciton reflection spectroscopy and corroborated by ab initio many-body perturbation theory calculations. By quenching interlayer excitonic interactions, the antiferromagnetic order of CrSBr strictly confines the bound electron-hole pairs within the same layer, regardless of the total number of layers. Our work unveils unique confined excitons in a layered antiferromagnet, highlighting magnetic interactions as a vital approach for nanoscale quantum confinement, from few layers to the bulk limit.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Study of phase decoherence in GeSn (8%) through measurements of the weak antilocalization effect

Alloying germanium with tin offers a means to modulate germanium's electronic structure, enabling a greater degree of control over quantum properties such as the retention of the phase or spin of the electron wave. However, the extent to which the presence of high dopant concentrations in GeSn alters these quantum behaviors is poorly understood. Here, we investigate the role of dopant concentrations on phase coherence through measurements of the weak antilocalization (WAL) effect at temperatures between 30 mK and 10 K in p-GeSn (8%) thin films, which were doped to a series of carrier densities on the order of 10 12 cm –2 . Phase coherence and spin–orbit lengths were extracted from the magnetoconductivities using the 2D Hikami–Larkin–Nagaoka model. Phase coherence lengths peaked at 577, 593, and 737 nm for the low-, mid-, and high-density samples, while upper limits on the spin–orbit lengths of less than 25 nm were relatively independent of carrier density and temperature. The phase coherence lengths increased as the temperature decreased but changed only minimally with carrier density, contrary to common models of temperature-dependent inelastic scattering. Saturation of the phase coherence lengths occurred below 600 mK. Based on these findings, intrinsically generated inelastic scattering mechanisms such as two-level systems or impurity band scattering likely contribute to phase decoherence in these alloys. Our results provide insight into the inelastic scattering mechanisms of GeSn, while suggesting a need for further investigation into phase decoherence mechanisms in doped group-IV alloys.

42 ENGINEERING↗
DOE OSTI2020

Hyperfine and quadrupole interactions for Dy isotopes in DyPc 2 molecules

Nuclear spin levels play a vital role in understanding magnetization dynamics and implementation and control of quantum bits in lanthanide-based single-molecule magnets. We investigate the hyperfine and nuclear quadrupole interactions for 161 Dy and 163 Dy nuclei in anionic DyPc 2 (Pc=phthalocyanine) single-molecule magnets, using multiconfigurational ab initio methods (beyond density-functional theory) including spin–orbit interaction. The two isotopes of Dy are chosen because the others have zero nuclear spin. Both isotopes have the nuclear spin I =5/2, although the magnitude and sign of the nuclear magnetic moment differ from each other. The large energy gap between the electronic ground and first-excited Kramers doublets, allows us to map the microscopic hyperfine and quadrupole interaction Hamiltonian onto an effective Hamiltonian with an electronic pseudo-spin that corresponds to the ground Kramers doublet. Our ab initio calculations illustrate that the coupling between the nuclear spin and electronic orbital angular momentum contributes the most to the hyperfine interaction and that both the hyperfine and nuclear quadrupole interactions for 161 Dy and 163 Dy nuclei are much smaller than those for the 159 Tb nucleus in TbPc 2 single-molecule magnets. The calculated separations of the electronic-nuclear levels are comparable to experimental data reported for 163 DyPc 2 . We demonstrate that hyperfine interaction for the Dy Kramers ion leads to tunnel splitting (or quantum tunneling of magnetization) at zero field. This effect does not occur for TbPc 2 single-molecule magnets. The magnetic field values of the avoided level crossings for 161 DyPc 2 and 163 DyPc 2 are found to be noticeably different, which can be observed from the experiment.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

High harmonic generation in graphene quantum dots

Abstract We study theoretically the generation of high harmonics in disk graphene quantum dots placed in linearly polarized short pulse. The quantum dots (QD) are described within an effective model of the Dirac type and the length gauge was used to describe the interaction of quantum dots with an optical pulse. The generated radiation spectra of graphene quantum dots can be controlled by varying the quantum dot size, i.e. its radius. With increasing the quantum dot radius, the intensities of low harmonics mainly decrease, while the cutoff frequency increases. The sensitivity of the cutoff frequency to the QD size increases with the intensity of the pulse.

Physics↗
DOE OSTI2023

Acquisition of host-derived carbon in biomass of the ectomycorrhizal fungus Pisolithus microcarpus is correlated to fungal carbon demand and plant defences

Abstract Ectomycorrhizal (ECM) fungi are key players in forest carbon (C) sequestration, receiving a substantial proportion of photosynthetic C from their forest tree hosts in exchange for plant growth-limiting soil nutrients. However, it remains unknown whether the fungus or plant controls the quantum of C in this exchange, nor what mechanisms are involved. Here, we aimed to identify physiological and genetic properties of both partners that influence ECM C transfer. Using a microcosm system, stable isotope tracing, and transcriptomics, we quantified plant-to-fungus C transfer between the host plant Eucalyptus grandis and nine isolates of the ECM fungus Pisolithus microcarpus that range in their mycorrhization potential and investigated fungal growth characteristics and plant and fungal genes that correlated with C acquisition. We found that C acquisition by P. microcarpus correlated positively with both fungal biomass production and the expression of a subset of fungal C metabolism genes. In the plant, C transfer was not positively correlated to the number of colonized root tips, but rather to the expression of defence- and stress-related genes. These findings suggest that C acquisition by ECM fungi involves individual fungal demand for C and defence responses of the host against C drain.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Systematic Construction of Time-Dependent Hamiltonians for Microwave-Driven Josephson Circuits

Time-dependent electromagnetic drives are fundamental for controlling complex quantum systems, including superconducting Josephson circuits. In these devices, accurate time-dependent Hamiltonian models are imperative for predicting their dynamics and designing high-fidelity quantum operations. Existing numerical methods, such as black-box quantization (BBQ) and energy-participation ratio (EPR), excel at modeling the static Hamiltonians of Josephson circuits. However, these techniques do not fully capture the behavior of driven circuits stimulated by external microwave drives, nor do they include a generalized approach to account for the inevitable noise and dissipation that enter through microwave ports. Here, we introduce numerical techniques that leverage classical microwave simulations, efficiently executable in finite-element solvers, to obtain the time-dependent Hamiltonian of microwave-driven superconducting circuits with arbitrary geometries under charge, flux, or mixed electromagnetic modulation. Importantly, our techniques do not rely on a lumped-element description of the superconducting circuit, in contrast to previous approaches to tackling this problem. We demonstrate the versatility of our approach by characterizing the driven properties of realistic circuit devices in complex electromagnetic environments, including coherent dynamics due to charge and flux modulation, as well as drive-induced relaxation and dephasing. Our techniques offer a powerful toolbox for optimizing circuit designs and advancing practical applications in superconducting quantum computing.

Lu, Yao [Yale U.; Yale U. (main); Fermilab] (ORCID↗
DOE OSTI2025

Energy Shifts and Broadening of Excitonic Resonances in Electrostatically Doped Semiconductors

Tuning the density of resident electrons or holes in semiconductors through electrostatic doping provides crucial insight into the composition of the many excitonic complexes that are routinely observed as absorption or photoluminescence resonances in optical studies. Moreover, we can change the way these resonances shift and broaden in energy by controlling the quantum numbers (e.g., spin and valley) of the resident carriers with applied magnetic fields and doping levels, as well as by selecting the quantum numbers of the photoexcited or recombining electron-hole (𝑒−ℎ) pair through optical polarization. Here, we discuss the roles of distinguishability and optimality of excitonic complexes, showing them to be key ingredients that determine the energy shifts and broadening of optical resonances in charge-tunable semiconductors. A distinguishable 𝑒−ℎ pair means that the electron and hole undergoing photoexcitation or recombination have quantum numbers that are not shared by any of the resident carriers. An optimal excitonic complex refers to a complex whose particles come with all available quantum numbers of the resident carriers. Based on the carrier density, magnetic field, and light polarization, all optical resonances may be classified as either distinct or indistinct depending on the distinguishability of the 𝑒−ℎ pair, and the underlying excitonic complex can be classified as either optimal or suboptimal. The universality of these classifications, inherited from the fundamental Pauli exclusion principle, allows us to understand how optical resonances shift in energy and whether they should broaden as doping is increased. This understanding is supported by conclusive evidence that the broadening and decay of optical resonances cannot be simply attributed to enhanced screening when resident carriers are added to a semiconductor. Finally, applying the classification scheme in either monolayer or moiré heterobilayer semiconductor systems, we relate the energy shift and amplitude of the neutral-exciton resonance to the compressibility of the resident carrier gas.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Progress toward favorable landscapes in quantum combinatorial optimization

The performance of variational quantum algorithms relies on the success of using quantum and classical computing resources in tandem. Here, we study how these quantum and classical components interrelate. In particular, we focus on algorithms for solving the combinatorial optimization problem MaxCut, and study how the structure of the classical optimization landscape relates to the quantum circuit used to evaluate the MaxCut objective function. In order to analytically characterize the impact of quantum features on the critical points of the landscape, we consider a family of quantum circuit ansätze composed of mutually commuting elements. We identify multiqubit operations as a key resource and show that overparameterization allows for obtaining favorable landscapes. Namely, we prove that an ansatz from this family containing exponentially many variational parameters yields a landscape free of local optima for generic graphs. However, we further prove that these ansätze do not offer superpolynomial advantages over purely classical MaxCut algorithms. Here, we then present a series of numerical experiments illustrating that noncommutativity and entanglement are important features for improving algorithm performance.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Feasibility study of quantum computing using trapped electrons

In this study, we investigate the feasibility of using electrons in a linear Paul trap as qubits in a future quantum computer. We discuss the necessary experimental steps to realize such a device through a concrete design proposal, including trapping, cooling, electronic detection, spin readout, and single- and multiqubit gate operations. Numeric simulations indicate that two-qubit Bell-state fidelities of order 99.99% can be achieved assuming reasonable experimental parameters.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

Twisty-puzzle-inspired approach to Clifford synthesis

The problem of decomposing an arbitrary Clifford element into a sequence of Clifford gates is known as Clifford synthesis. Drawing inspiration from similarities between this and the famous Rubik's cube twisty puzzle, here we develop a machine learning approach for Clifford synthesis based on learning an approximation to the distance to the identity. This approach is probabilistic and computationally intensive. However, when a decomposition is successfully found, it often involves fewer gates than the decomposition methods used in the Qiskit decomposition protocol, which uses a combination of several well-known Clifford decomposition schemes. Additionally, our approach is much more flexible than existing algorithms in that arbitrary gate sets, device topologies, and gate fidelities may be incorporated, thus allowing for the approach to be tailored to a specific device.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Active Cancellation of Servo-Induced Noise on Stabilized Lasers via Feedforward

Many precision laser applications require active frequency stabilization. However, such stabilization loops operate by pushing noise to frequencies outside their bandwidth, leading to large “servo bumps” that can have deleterious effects for certain applications. The prevailing approach to filtering this noise is to pass the laser through a high-finesse optical cavity, which places constraints on the system design. Here, we propose and demonstrate a different approach where a frequency error signal is derived from a beat note between the laser and the light that passes through the reference cavity. The phase noise derived from this beat note is fed forward to an electro-optic modulator after the laser, carefully accounting for relative delay, for real-time frequency correction. With a hertz-line-width laser, we show ≳20 dB noise suppression at the peak of the servo bump (approximately 250 kHz) and a noise-suppression bandwidth of approximately 5 MHz—well beyond the servo bump. By simulating the Rabi dynamics of a two-level atom with our measured data, we demonstrate substantial improvements to the pulse fidelity over a wide range of Rabi frequencies. Here, our approach offers a simple and versatile method for obtaining a clean spectrum of a narrow-line-width laser, as required in many emerging applications of cold atoms, and is readily compatible with commercial systems that may even include wavelength conversion.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Enhancing Qubit Readout with Autoencoders

In addition to the need for stable and precisely controllable qubits, quantum computers take advantage of good readout schemes. Superconducting qubit states can be inferred from the readout signal transmitted through a dispersively coupled resonator. Here, this work proposes a readout classification method for superconducting qubits based on a neural network pretrained with an autoencoder approach. A neural network is pretrained with qubit readout signals as autoencoders in order to extract relevant features from the data set. Afterward, the pretrained-network inner-layer values are used to perform a classification of the inputs in a supervised manner. We demonstrate that this method can enhance classification performance, particularly for short- and long-time measurements where more traditional methods present inferior performance.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗