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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Electronic thermal transport measurement in low-dimensional materials with graphene non-local noise thermometry

In low-dimensional systems, the combination of reduced dimensionality, strong interactions and topology has led to a growing number of many-body quantum phenomena. Thermal transport, which is sensitive to all energy-carrying degrees of freedom, provides a discriminating probe of emergent excitations in quantum materials and devices. However, thermal transport measurements in low dimensions are dominated by the phonon contribution of the lattice, requiring an experimental approach to isolate the electronic thermal conductance. In this work we measured non-local voltage fluctuations in a multi-terminal device to reveal the electronic heat transported across a mesoscopic bridge made of low-dimensional materials. Using two-dimensional graphene as a noise thermometer, we measured the quantitative electronic thermal conductance of graphene and carbon nanotubes up to 70 K, achieving a precision of ~1% of the thermal conductance quantum at 5 K. Employing linear and nonlinear thermal transport, we observed signatures of energy transport mediated by long-range interactions in one-dimensional electron systems, in agreement with a theoretical model.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Radio frequency mixing modules for superconducting qubit room temperature control systems

As the number of qubits in nascent quantum processing units increases, the connectorized RF (radio frequency) analog circuits used in first generation experiments become exceedingly complex. The physical size, cost, and electrical failure rate all become limiting factors in the extensibility of control systems. We have developed a series of compact RF mixing boards to address this challenge by integrating I/Q quadrature mixing, intermediate frequency/LO (local oscillator)/RF power level adjustments, and direct current bias fine tuning on a 40 × 80 mm 2 four-layer printed circuit board with electromagnetic interference shielding. The RF mixing module is designed to work with RF and LO frequencies between 2.5 and 8.5 GHz. The typical image rejection and adjacent channel isolation are measured to be ~27 dBc and ~50 dB. By scanning the drive phase in a loopback test, the module short-term amplitude and phase linearity are typically measured to be 5 ×10 -4 (V pp /V mean ) and 1 ×10 -3 radian (pk-pk). The operation of the RF mixing board was validated by integrating it into the room temperature control system of a superconducting quantum processor and executing randomized benchmarking characterization of single and two qubit gates. We measured a single-qubit process infidelity of 9.3(3) × 10 -4 and a two-qubit process infidelity of 2.7(1) × 10 -2 .

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Correlating AGP on a quantum computer

For variational algorithms on the near term quantum computing hardware, it is highly desirable to use very accurate ansatze with low implementation cost. Recent studies have shown that the antisymmetrized geminal power (AGP) wavefunction can be an excellent starting point for ansatze describing systems with strong pairing correlations, as those occurring in superconductors. In this work, we show how AGP can be efficiently implemented on a quantum computer with circuit depth, number of CNOTs, and number of measurements being linear in system size. Using AGP as the initial reference, we propose and implement a unitary correlator on AGP and benchmark it on the ground state of the pairing Hamiltonian. Furthermore, the results show highly accurate ground state energies in all correlation regimes of this model Hamiltonian.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Assessing the difficulty of capturing the distribution function of neutrinos in neutron star merger simulations

The collision of two neutron stars is a rich source of information about nuclear physics. In particular, the kilonova signal following a merger can help us elucidate the role of neutron stars in nucleosynthesis, and informs us about the properties of matter above nuclear saturation. Approximate modeling of neutrinos remains an important limitation to our ability to make predictions for these observables. Part of the problem is the fermionic nature of neutrinos. By the exclusion principle, the expected value 𝑓 𝜈 for the number of neutrinos in a quantum state is at most 1. Any process producing neutrinos is suppressed by a blocking factor (1 −𝑓 𝜈 ). Recent simulations focused on neutrino physics mostly use a gray two-moment scheme to evolve neutrinos. This evolves integrals of 𝑓 𝜈 over momentum space, preventing direct calculations of blocking factors. Monte Carlo methods may be an attractive alternative, providing access to the full distribution of neutrinos. Their current implementation is, however, inadequate to estimate 𝑓 𝜈 : in our most recent simulations, a single Monte Carlo packet causes, in the worst cases, estimates of 𝑓 𝜈 to jump from 𝑓 𝜈 =0 to 𝑓 𝜈 ∼10 5 . While this is concerning, this brazen violation of the fermionic nature of neutrinos has been largely inconsequential, as the interactions used in simulations avoid direct calculations of 𝑓 𝜈 . We are, however, reaching a level of modeling at which this problem can no longer be ignored. Here, we discuss the relatively simple origin of this issue. We then show that very rough estimates of 𝑓 𝜈 can in theory be obtained in merger simulations, but that they will require a combination of unintuitive weighting schemes for Monte Carlo packets and smoothing of the neutrino distribution at coarser resolution than what the merger simulation uses.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

CV4Quantum: Reducing the Sampling Overhead in Probabilistic Error Cancellation Using Control Variates

Quasiprobabilistic decompositions (QPDs) play a key role in maximizing the utility of near-term quantum hardware. For example, Probabilistic Error Cancellation (PEC) (an error mitigation technique) and circuit cutting (which enables large quantum computations to be performed on quantum hardware with a limited number of qubits) both involve QPDs. Computations based on QPDs typically incur large sampling overheads that grow exponentially with the number of error-terms mitigated or number of circuit-cuts employed, limiting their practical feasibility. In this work, we adapt the control variates variance reduction technique from the statistics literature in order to reduce the sampling overhead in QPD-based computations. We demonstrate our method using simulation experiments that mimic a realistic PEC scenario. In our experiments, we observed a more than 50% reduction in the number of samples needed to achieve a given precision, in more than 50% of the PEC-based estimations performed in the study when using our approach. We discuss how future research on constructing good control variates can lead to even stronger sampling overhead reduction.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2026

Accelerating Surface Radiation Content to Investigate the Impact of Radon Progeny on Superconducting Qubits

Ionizing radiation in the form of $α$, $β$, $γ$, and additional high-energy particles can induce decoherence via phonon and quasiparticle poisoning in superconducting qubits. Recent studies have explored this effect using cosmic rays or controlled radioactive sources held in the proximity of a qubit package, and have concluded that reductions in such ``external'' environmental radiation may benefit stable operation of qubit devices. However, the effect of long-lived, unstable daughters of $^{222}$Rn that ``plate out'' directly on device and packaging surfaces has not been as extensively explored. This plate-out process, well-known to the dark matter direct detection field, occurs throughout the fabrication and testing lifecycle of a device and (separately) its packaging, and produces a local source of $α$-decays which can remain active for decades. As this scales with chip area, understanding and managing this source of ionizing radiation is relevant for successfully scaling quantum computing architectures to larger numbers of qubits in a radiation-robust way. We present a setup capable of accelerating and enhancing radon daughter plateout by a factor of $7\times10^4$ over ambient, in order to study, \textit{in situ}, the impact of these events on superconducting qubits. We also provide outlook on the potential impact of this source of ionizing radiation on current and future qubit arrays.

Poudel, Sagar S. [South Dakota Sch. Mines Tech.]↗
DOE OSTI2020

Large-scale integration of artificial atoms in hybrid photonic circuits

A central challenge in developing quantum computers and long-range quantum networks is the distribution of entanglement across many individually controllable qubits. Colour centres in diamond have emerged as leading solid-state ‘artificial atom’ qubits because they enable on-demand remote entanglement, coherent control of over ten ancillae qubits with minute-long coherence times and memory-enhanced quantum communication. A critical next step is to integrate large numbers of artificial atoms with photonic architectures to enable large-scale quantum information processing systems. So far, these efforts have been stymied by qubit inhomogeneities, low device yield and complex device requirements. Here we introduce a process for the high-yield heterogeneous integration of ‘quantum microchiplets’—diamond waveguide arrays containing highly coherent colour centres—on a photonic integrated circuit (PIC). We use this process to realize a 128-channel, defect-free array of germanium-vacancy and silicon-vacancy colour centres in an aluminium nitride PIC. Photoluminescence spectroscopy reveals long-term, stable and narrow average optical linewidths of 54 megahertz (146 megahertz) for germanium-vacancy (silicon-vacancy) emitters, close to the lifetime-limited linewidth of 32 megahertz (93 megahertz). We show that inhomogeneities of individual colour centre optical transitions can be compensated in situ by integrated tuning over 50 gigahertz without linewidth degradation. The ability to assemble large numbers of nearly indistinguishable and tunable artificial atoms into phase-stable PICs marks a key step towards multiplexed quantum repeaters and general-purpose quantum processors

36 MATERIALS SCIENCE↗
DOE OSTI2023

Improving the Accuracy of Variational Quantum Eigensolvers with Fewer Qubits Using Orbital Optimization

Near-term quantum computers will be limited in the number of qubits on which they can process information as well as the depth of the circuits that they can coherently carry out. To date, experimental demonstrations of algorithms such as the Variational Quantum Eigensolver (VQE) have been limited to small molecules using minimal basis sets for this reason. In this work we propose incorporating an orbital optimization scheme into quantum eigensolvers wherein a parametrized partial unitary transformation is applied to the basis functions set in order to reduce the number of qubits required for a given problem. The optimal transformation is found by minimizing the ground state energy with respect to this partial unitary matrix. Through numerical simulations of small molecules up to 16 spin orbitals, we demonstrate that this method has the ability to greatly extend the capabilities of near-term quantum computers with regard to the electronic structure problem. Finally, we find that VQE paired with orbital optimization consistently achieves lower ground state energies than traditional VQE when using the same number of qubits and even frequently achieves lower ground state energies than VQE methods using more qubits.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

A phononic interface between a superconducting quantum processor and quantum networked spin memories

We introduce a method for high-fidelity quantum state transduction between a superconducting microwave qubit and the ground state spin system of a solid-state artificial atom, mediated via an acoustic bus connected by piezoelectric transducers. Applied to present-day experimental parameters for superconducting circuit qubits and diamond silicon-vacancy centers in an optimized phononic cavity, we estimate quantum state transduction with fidelity exceeding 99% at a MHz-scale bandwidth. By combining the complementary strengths of superconducting circuit quantum computing and artificial atoms, the hybrid architecture provides high-fidelity qubit gates with long-lived quantum memory, high-fidelity measurement, large qubit number, reconfigurable qubit connectivity, and high-fidelity state and gate teleportation through optical quantum networks.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Entanglement Capacity Estimates and Throughput Measurements of Quantum Channels

The throughput is an important performance metric of entangled qubit distribution quantum networks, and may be characterized by the number of distributed entangled qubit pairs per second (ebps). It is measured over physical quantum network connections using specialized instruments, including photonic entanglement sources and single photon detectors. Extensive theory has been developed to estimate the entangled qubit capacity of quantum channels using abstractions of physical connections. These two quantities both characterize the throughput performance but in different ways, and typically have been hard to relate to each other in concrete terms, in part due to the lack of precise measurements with matching analytical models and derivations. We describe measurements on a physical testbed with fiber connections of lengths 0-75 kilometers. We obtain the normalized analytic capacity estimates using the transmissivity approximations derived using single photon coincidence measurements, and convert them to bounds on throughput (measured in ebps) using a multiplier derived from co-located detector measurements. The results indicate consistent throughput measurements upper-bounded by their analytical capacity estimates across all connections. We show that previous capacity estimates using light measurements are below ebps measurements for some connections, due to the inclusion of non-representative decrease of light levels outside C-band with distance.

Rao, Nageswara↗
DOE OSTI2021

General Quantum Field Theory of Flavor Mixing and Oscillations

We review the canonical transformation in quantum physics known as the Bogoliubov transformation and present its application to the general theory of quantum field mixing and oscillations with an arbitrary number of mixed particles with either boson or fermion statistics. The mixing relations for quantum states are derived directly from the definition of mixing for quantum fields and the unitary inequivalence of the Fock space of energy and flavor eigenstates is shown by a straightforward algebraic method. The time dynamics of the interacting fields is then explicitly solved and the flavor oscillation formulas are derived in a unified general formulation with emphasis on antiparticle content and effect introduced by nontrivial flavor vacuum.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Phononic bus for coherent interfaces between a superconducting quantum processor, spin memory, and photonic quantum networks

A hybrid quantum system performs high-fidelity quantum state transduction between a superconducting (SC) microwave qubit and the ground state spin system of a solid-state artificial atom. This transduction is mediated via an acoustic bus connected by piezoelectric transducers to the SC microwave qubit. For SC circuit qubits and diamond silicon vacancy centers in an optimized phononic cavity, the system can achieve quantum state transduction with fidelity exceeding 99% at a MHz-scale bandwidth. By combining the complementary strengths of SC circuit quantum computing and artificial atoms, the hybrid quantum system provides high-fidelity qubit gates with long-lived quantum memory, high-fidelity measurement, large qubit number, reconfigurable qubit connectivity, and high-fidelity state and gate teleportation through optical quantum networks.

Englund, Dirk Robert↗
DOE OSTI2023

Adaptive basis sets for practical quantum computing

Electronic structure calculations on small systems such as H 2 , H 2 O, LiH, and BeH 2 with chemical accuracy are still a challenge for the current generation of noisy intermediate-scale quantum (NISQ) devices. One of the reasons is that due to the device limitations, only minimal basis sets are commonly applied in quantum chemical calculations, which allows one to keep the number of qubits employed in the calculations at a minimum. However, the use of minimal basis sets leads to very large errors in the computed molecular energies as well as potential energy surface shapes. One way to increase the accuracy of electronic structure calculations is through the development of small basis sets better suited for quantum computing. In this work, we show that the use of adaptive basis sets, in which exponents and contraction coefficients depend on molecular structure, provides an easy way to dramatically improve the accuracy of quantum chemical calculations without the need to increase the basis set size and thus the number of qubits utilized in quantum circuits. As a proof of principle, we optimize an adaptive minimal basis set for quantum computing calculations on an H 2 molecule, in which exponents and contraction coefficients depend on the H—H distance, and apply it to the generation of H 2 potential energy surface on IBM-Q quantum devices. The adaptive minimal basis set reaches the accuracy of the double-zeta basis sets, thus allowing one to perform double-zeta quality calculations on quantum devices without the need to utilize twice as many qubits in simulations. This approach can be extended to other molecular systems and larger basis sets in a straightforward manner.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Electronic structure theory with molecular point group symmetries on quantum annealers

Quantum computation has the potential to revolutionize quantum chemistry through major speedups in computation times and an exponential reduction in computational resources. Here, we combine the symmetry-adapted Jordan–Wigner encoding based on the full Boolean symmetry group $\mathbb{Z}$$^{k}_{2}$ with our new implementation of the Xia–Bian–Kais (XBK) method for improving the efficiency of electronic structure theory calculations on quantum annealers, particularly by reducing the number of qubits needed to achieve the same accuracy. By providing a more extensive symmetry-adapted encoding (SAE) than previous work, we are able to simulate molecules larger than those previously reported that have been studied using methods developed for quantum annealers and without using an active space. We calculated the potential energy surfaces of H 2 , LiH, He 2 , H 2 O, O 2 , N 2 , Li 2 , F 2 , CO, BH 3 , NH 3 , and CH 4 , with the largest molecule in the STO-6G basis set requiring 16 qubits with our SAE, and compared them with full configuration interaction results. The application of SAE to the XBK method provides an exponential reduction in the size of the Hilbert space and scales well with the size of the problem. It does not introduce significant additional errors for even or large values of a key variational parameter that determines the number of ancilla qubits used in the XBK method’s Hamiltonian embedding, or for certain molecules such as He 2 and H 2 O. Here, we provide an explanation for this behavior and a recommendation on the usage of our method. In addition, we briefly discuss the potential of extracting electronic excited states from our method.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Qu8its for quantum simulations of lattice quantum chromodynamics

We explore the utility of d = 8 qudits, qu8its, for quantum simulations of the dynamics of 1+1⁢D SU(3) lattice quantum chromodynamics, including a mapping for arbitrary number of flavors and lattice size and a reorganization of the Hamiltonian for efficient time evolution. Recent advances in parallel gate applications, along with the shorter application times of single-qudit operations compared with two-qudit operations, lead to significant projected advantages in quantum simulation fidelities and circuit depths using qu8its rather than qubits. The number of two-qudit entangling gates required for time evolution using qu8its is found to be more than a factor of 5 fewer than for qubits. Here, we anticipate that the developments presented in this work will enable improved quantum simulations to be performed using emerging quantum hardware.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Quantum Divide and Compute: Exploring the Effect of Different Noise Sources

Abstract Our recent work (Ayral et al. in Proceedings of IEEE computer society annual symposium on VLSI, ISVLSI, pp 138–140, 2020. 10.1109/ISVLSI49217.2020.00034 ) showed the first implementation of the Quantum Divide and Compute (QDC) method, which allows to break quantum circuits into smaller fragments with fewer qubits and shallower depth. This accommodates the limited number of qubits and short coherence times of quantum processors. This article investigates the impact of different noise sources—readout error, gate error and decoherence—on the success probability of the QDC procedure. We perform detailed noise modeling on the Atos Quantum Learning Machine, allowing us to understand tradeoffs and formulate recommendations about which hardware noise sources should be preferentially optimized. We also describe in detail the noise models we used to reproduce experimental runs on IBM’s Johannesburg processor. This article also includes a detailed derivation of the equations used in the QDC procedure to compute the output distribution of the original quantum circuit from the output distribution of its fragments. Finally, we analyze the computational complexity of the QDC method for the circuit under study via tensor-network considerations, and elaborate on the relation the QDC method with tensor-network simulation methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Entanglement Traffic Engineering in Quantum Optical Fiber Networks based on High-Dimensional Kerr Optical Frequency Combs

The purpose of the project was to explore the performance of entanglement protocols based on microresonator Kerr optical frequency combs. We have addressed these challenges by developing a rigorous frequency-bin approach that allowed us to determine an explicit steady-state density operator for quantum microcombs below threshold. Our novel approach has allowed us to derived an explicit formula for the density operator on the frequency-bin basis, and to propose a complete description of quantum Kerr combs regardless of the number of sidemodes or loss-induced coupling to the environment. This formalism also allows for the explicit determination of their fidelity, purity, and entropy. These results are expected to permit the exploitation of the full potential of entangled microcombs for quantum technology.

42 ENGINEERING↗
DOE OSTI2020

Universal crossed beam imaging studies of polyatomic reaction dynamics

The marriage between high level quantum calculations and experimental advances in laser technology, quantum state control, and detection techniques have opened the door to the study of molecular collision dynamics at a new level of detail. However, one current challenge lies in adapting these powerful strategies to address questions beyond the scope of the small ground state systems that have largely been the focus of reaction dynamics investigations to-date. For molecules with intermediate or large size (more than 6 atoms), lack of spectroscopic information and spectral congestion limit quantum state preparation, control and detection for experiment, and the large number of degrees of freedom of the system makes accurate quantum dynamics calculations prohibitively expensive. Nevertheless, studies of the chemical dynamics of such systems can reveal novel aspects of reactivity not anticipated based upon the behavior of smaller model systems. This Perspective will highlight applications of soft vacuum ultraviolet photoionization at 157 nm as a universal probe in combination with crossed beams and DC slice velocity map ion imaging to study bimolecular reaction dynamics of molecules of intermediate or large size, illuminated with support of high-level ab initio calculations. In this work, we report on the chemical dynamics of atomic oxygen or chlorine reactions with organic compounds: propanol isomers, alkylamines (N(CH 3 ) 3 and NH(CH 3 ) 2 ), and isobutene ((CH 3 ) 2 CCH 2 ) studied using this approach. The polyatomic radical products from the hydrogen abstraction process have been detected by 157 nm photoionization and their slice ion images embody translational energy and angular information that directly reflect the underlying collision dynamics. Various reaction mechanisms (such as direct abstraction and addition–elimination) along with the involvement of roaming dynamics and novel intersystem crossing pathways are presented. These demonstrate the power of this technique to reveal fundamentally new aspects of reaction dynamics that arise in larger reaction systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗