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At least 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Quantum simulations of nuclear resonances with variational methods

Background: The many-body nature of nuclear physics problems poses significant computational challenges. These challenges become even more pronounced when studying the resonance states of nuclear systems, which are governed by the non-Hermitian Hamiltonian. Quantum computing, particularly for quantum many-body systems, offers a promising alternative, especially within the constraints of current noisy intermediate-scale quantum (NISQ) devices. Purpose: This work aims to simulate nuclear resonances using quantum algorithms by developing a variational framework compatible with non-Hermitian Hamiltonians and implementing it fully on a quantum simulator. Methods: We employ the complex scaling technique to extract resonance positions classically and adapt it for quantum simulations using a two-step algorithm. First, we transform the non-Hermitian Hamiltonian into a Hermitian form by using the energy variance as a cost function within a variational framework. Second, we perform 𝜃-trajectory calculations to determine optimal resonance positions in the complex energy plane. To address resource constraints on NISQ devices, we utilize Gray code (GC) encoding to reduce qubit requirements. Results: We first validate our approach using a schematic potential model that mimics a nuclear potential, successfully reproducing known resonance energies with high fidelity. We then extend the method to a more realistic 𝛼−𝛼 nuclear potential and compute the 𝐷- and 𝐺-wave resonance energies with a basis size of 𝑁=16, using only four qubits. The quantum simulation results closely match the classical values, demonstrating the feasibility of our approach. Conclusions: This study demonstrates, for the first time, that the complete 𝜃-trajectory method can be implemented on a quantum computer without relying on any classical input beyond the Hamiltonian. The results establish a scalable and efficient quantum framework for simulating resonance phenomena in nuclear systems. This work represents a significant step toward quantum simulations of open quantum systems and lays the foundation for future investigations into resonance structures in nuclear, atomic, and molecular physics.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1990

Electronically scanned multichannel pressure transducer system for cryogenic environments

Research into the application of custom doped piezoresistive silicon pressure sensors has led to a multichannel pressure sensor design that will operate accurately and reliably at cryogenic temperatures. The thermal effects upon multichannel pressure sensors are mapped by thermal calibrations and are represented by sets of nth order coefficients specific to each sensor. The thermal offset and sensitivity variations are corrected by computer algorithms which scan the sensors, recall correction coefficients from thermally induced sensor variations, and apply these to correct the sensor's output measurement uncertainty to within 0.5 percent of full scale output for combined offset and sensitivity. A prototype sensor system has been fabricated, and performance test data are presented.

Chapman, John J.↗
NASA NTRS2001

Design for Vibration Monitoring: A Methodology for Reliable and Cost-Effective Vibration Monitoring

The purpose of health monitoring systems is to detect failures or defects for increased safety and performance and to provide on-condition maintenance with reduced costs. The problems associated with health monitoring systems include high rates of false alarms and missed failures, which make monitoring an unreliable and costly task. The reason for this is that unaccounted variations invalidate signal modeling assumptions. Our approach was to focus on vibration monitoring of rotating components. We analyzed baseline signals to determine statistical variations, identify and model factors that influence vibrations (pre-production vs. post-production variations), determine hit and false alarm rates with baseline flight data, model and predict effects of defects and variations on vibrations, and develop algorithms and metrics for failure and anomaly detection in the presence of variations.

Tumer, Irem Y.↗
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 OSTI2023

Adaptive variational quantum minimally entangled typical thermal states for finite temperature simulations

Scalable quantum algorithms for the simulation of quantum many-body systems in thermal equilibrium are important for predicting properties of quantum matter at finite temperatures. Here we describe and benchmark a quantum computing version of the minimally entangled typical thermal states (METTS) algorithm for which we adopt an adaptive variational approach to perform the required quantum imaginary time evolution. The algorithm, which we name AVQMETTS, dynamically generates compact and problem-specific quantum circuits, which are suitable for noisy intermediate-scale quantum (NISQ) hardware. We benchmark AVQMETTS on statevector simulators and perform thermal energy calculations of integrable and nonintegrable quantum spin models in one and two dimensions and demonstrate an approximately linear system-size scaling of the circuit complexity. We further map out the finite-temperature phase transition line of the two-dimensional transverse field Ising model. Finally, we study the impact of noise on AVQMETTS calculations using a phenomenological noise model.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

A universal variational quantum eigensolver for non-Hermitian systems

Abstract Many quantum algorithms are developed to evaluate eigenvalues for Hermitian matrices. However, few practical approach exists for the eigenanalysis of non-Hermintian ones, such as arising from modern power systems. The main difficulty lies in the fact that, as the eigenvector matrix of a general matrix can be non-unitary, solving a general eigenvalue problem is inherently incompatible with existing unitary-gate-based quantum methods. To fill this gap, this paper introduces a Variational Quantum Universal Eigensolver (VQUE), which is deployable on noisy intermediate scale quantum computers. Our new contributions include: (1) The first universal variational quantum algorithm capable of evaluating the eigenvalues of non-Hermitian matrices—Inspired by Schur’s triangularization theory, VQUE unitarizes the eigenvalue problem to a procedure of searching unitary transformation matrices via quantum devices; (2) A Quantum Process Snapshot technique is devised to make VQUE maintain the potential quantum advantage inherited from the original variational quantum eigensolver—With additional $$O(log_{2}{N})$$ O ( l o g 2 N ) quantum gates, this method efficiently identifies whether a unitary operator is triangular with respect to a given basis; (3) Successful deployment and validation of VQUE on a real noisy quantum computer, which demonstrates the algorithm’s feasibility. We also undertake a comprehensive parametric study to validate VQUE’s scalability, generality, and performance in realistic applications.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2014

Remote Sensing of Cloud Top Height from SEVIRI: Analysis of Eleven Current Retrieval Algorithms

The role of clouds remains the largest uncertainty in climate projections. They influence solar and thermal radiative transfer and the earth's water cycle. Therefore, there is an urgent need for accurate cloud observations to validate climate models and to monitor climate change. Passive satellite imagers measuring radiation at visible to thermal infrared (IR) wavelengths provide a wealth of information on cloud properties. Among others, the cloud top height (CTH) - a crucial parameter to estimate the thermal cloud radiative forcing - can be retrieved. In this paper we investigate the skill of ten current retrieval algorithms to estimate the CTH using observations from the Spinning Enhanced Visible and InfraRed Imager (SEVIRI) onboard Meteosat Second Generation (MSG). In the first part we compare ten SEVIRI cloud top pressure (CTP) data sets with each other. The SEVIRI algorithms catch the latitudinal variation of the CTP in a similar way. The agreement is better in the extratropics than in the tropics. In the tropics multi-layer clouds and thin cirrus layers complicate the CTP retrieval, whereas a good agreement among the algorithms is found for trade wind cumulus, marine stratocumulus and the optically thick cores of the deep convective system. In the second part of the paper the SEVIRI retrievals are compared to CTH observations from the Cloud-Aerosol LIdar with Orthogonal Polarization (CALIOP) and Cloud Profiling Radar (CPR) instruments. It is important to note that the different measurement techniques cause differences in the retrieved CTH data. SEVIRI measures a radiatively effective CTH, while the CTH of the active instruments is derived from the return time of the emitted radar or lidar signal. Therefore, some systematic differences are expected. On average the CTHs detected by the SEVIRI algorithms are 1.0 to 2.5 kilometers lower than CALIOP observations, and the correlation coefficients between the SEVIRI and the CALIOP data sets range between 0.77 and 0.90. The average CTHs derived by the SEVIRI algorithms are closer to the CPR measurements than to CALIOP measurements. The biases between SEVIRI and CPR retrievals range from −0.8 kilometers to 0.6 kilometers. The correlation coefficients of CPR and SEVIRI observations vary between 0.82 and 0.89. To discuss the origin of the CTH deviation, we investigate three cloud categories: optically thin and thick single layer as well as multi-layer clouds. For optically thick clouds the correlation coefficients between the SEVIRI and the reference data sets are usually above 0.95. For optically thin single layer clouds the correlation coefficients are still above 0.92. For this cloud category the SEVIRI algorithms yield CTHs that are lower than CALIOP and similar to CPR observations. Most challenging are the multi-layer clouds, where the correlation coefficients are for most algorithms between 0.6 and 0.8. Finally, we evaluate the performance of the SEVIRI retrievals for boundary layer clouds. While the CTH retrieval for this cloud type is relatively accurate, there are still considerable differences between the algorithms. These are related to the uncertainties and limited vertical resolution of the assumed temperature profiles in combination with the presence of temperature inversions, which lead to ambiguities in the CTH retrieval. Alternative approaches for the CTH retrieval of low clouds are discussed.

Hamann, U.↗
NASA NTRS2004

An Algorithm for Converting Static Earth Sensor Measurements into Earth Observation Vectors

An algorithm has been developed that converts penetration angles reported by Static Earth Sensors (SESs) into Earth observation vectors. This algorithm allows compensation for variation in the horizon height including that caused by Earth oblateness. It also allows pitch and roll to be computed using any number (greater than 1) of simultaneous sensor penetration angles simplifying processing during periods of Sun and Moon interference. The algorithm computes body frame unit vectors through each SES cluster. It also computes GCI vectors from the spacecraft to the position on the Earth's limb where each cluster detects the Earth's limb. These body frame vectors are used as sensor observation vectors and the GCI vectors are used as reference vectors in an attitude solution. The attitude, with the unobservable yaw discarded, is iteratively refined to provide the Earth observation vector solution.

Harman, R.↗
DOE OSTI2020

Noise resilience of variational quantum compiling

Variational hybrid quantum-classical algorithms (VHQCAs) are near-term algorithms that leverage classical optimization to minimize a cost function, which is efficiently evaluated on a quantum computer. Recently VHQCAs have been proposed for quantum compiling, where a target unitary U is compiled into a short-depth gate sequence V. In this work, we report on a surprising form of noise resilience for these algorithms. Namely, we find one often learns the correct gate sequence V (i.e. the correct variational parameters) despite various sources of incoherent noise acting during the cost-evaluation circuit. Our main results are rigorous theorems stating that the optimal variational parameters are unaffected by a broad class of noise models, such as measurement noise, gate noise, and Pauli channel noise. Furthermore, our numerical implementations on IBM's noisy simulator demonstrate resilience when compiling the quantum Fourier transform, Toffoli gate, and W-state preparation. Hence, variational quantum compiling, due to its robustness, could be practically useful for noisy intermediate-scale quantum devices. Finally, we speculate that this noise resilience may be a general phenomenon that applies to other VHQCAs such as the variational quantum eigensolver.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Gate-free state preparation for fast variational quantum eigensolver simulations

Abstract The variational quantum eigensolver is currently the flagship algorithm for solving electronic structure problems on near-term quantum computers. The algorithm involves implementing a sequence of parameterized gates on quantum hardware to generate a target quantum state, and then measuring the molecular energy. Due to finite coherence times and gate errors, the number of gates that can be implemented remains limited. In this work, we propose an alternative algorithm where device-level pulse shapes are variationally optimized for the state preparation rather than using an abstract-level quantum circuit. In doing so, the coherence time required for the state preparation is drastically reduced. We numerically demonstrate this by directly optimizing pulse shapes which accurately model the dissociation of H 2 and HeH + , and we compute the ground state energy for LiH with four transmons where we see reductions in state preparation times of roughly three orders of magnitude compared to gate-based strategies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2005

Motion Cueing Algorithm Development: Piloted Performance Testing of the Cueing Algorithms

The relative effectiveness in simulating aircraft maneuvers with both current and newly developed motion cueing algorithms was assessed with an eleven-subject piloted performance evaluation conducted on the NASA Langley Visual Motion Simulator (VMS). In addition to the current NASA adaptive algorithm, two new cueing algorithms were evaluated: the optimal algorithm and the nonlinear algorithm. The test maneuvers included a straight-in approach with a rotating wind vector, an offset approach with severe turbulence and an on/off lateral gust that occurs as the aircraft approaches the runway threshold, and a takeoff both with and without engine failure after liftoff. The maneuvers were executed with each cueing algorithm with added visual display delay conditions ranging from zero to 200 msec. Two methods, the quasi-objective NASA Task Load Index (TLX), and power spectral density analysis of pilot control, were used to assess pilot workload. Piloted performance parameters for the approach maneuvers, the vertical velocity upon touchdown and the runway touchdown position, were also analyzed but did not show any noticeable difference among the cueing algorithms. TLX analysis reveals, in most cases, less workload and variation among pilots with the nonlinear algorithm. Control input analysis shows pilot-induced oscillations on a straight-in approach were less prevalent compared to the optimal algorithm. The augmented turbulence cues increased workload on an offset approach that the pilots deemed more realistic compared to the NASA adaptive algorithm. The takeoff with engine failure showed the least roll activity for the nonlinear algorithm, with the least rudder pedal activity for the optimal algorithm.

Houck, Jacob A.↗
DOE OSTI2021

Improving reproducibility in synchrotron tomography using implementation-adapted filters

For reconstructing large tomographic datasets fast, filtered backprojection-type or Fourier-based algorithms are still the method of choice, as they have been for decades. These robust and computationally efficient algorithms have been integrated in a broad range of software packages. The continuous mathematical formulas used for image reconstruction in such algorithms are unambiguous. However, variations in discretization and interpolation result in quantitative differences between reconstructed images, and corresponding segmentations, obtained from different software. This hinders reproducibility of experimental results, making it difficult to ensure that results and conclusions from experiments can be reproduced at different facilities or using different software. In this paper, a way to reduce such differences by optimizing the filter used in analytical algorithms is proposed. These filters can be computed using a wrapper routine around a black-box implementation of a reconstruction algorithm, and lead to quantitatively similar reconstructions. Use cases for this approach are demonstrated by computing implementation-adapted filters for several open-source implementations and applying them to simulated phantoms and real-world data acquired at the synchrotron. Our contribution to a reproducible reconstruction step forms a building block towards a fully reproducible synchrotron tomography data processing pipeline.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Solving Unit Commitment Problems with Demand Responsive Loads

This work focuses on using variations of the Frank-Wolfe (FW) algorithm for solving unit commitment problems with high volumes of demand responsive loads on the power grid. We present a formulation of the unit commitment problem with demand responsive loads. We then show through reformulation and relaxations of the problem that variations of the Frank-Wolfe algorithm can be used to determine the time series decisions for the demand responsive loads. We show through computational experiments on the IEEE Reliability Test System that the timeseries of demand responsive load decisions obtained through our approach are near optimal and describe how large-scale parallel implementations of our approach can be highly computationally efficient.

demand response↗
DOE OSTI2023

Prepare Ground States of Highly Frustrated Magnetic Clusters on Quantum Computers

Solving challenging problems in physical, chemical, and materials sciences is one of the most promising applications of quantum utility that can be realized on current noisy hardware, considering (i) the direct map (encoding) from the quantum particles and their interactions to the qubits and their entangling gates and (ii) the rapidly improved quantum hardware and advanced error-mitigation techniques. Understanding quantum spin liquid in frustrated magnetic materials is a longstanding challenge in condensed matter physics and the nature of the ground-state phases is highly debated among researchers. Using IBM quantum computers with superconducting qubits, we implemented a variational quantum eigensolver (VQE) algorithm to prepare the ground states of two 12-site cluster approximations of these highly frustrated magnetic materials. The interaction graphs of the two corresponding Hamiltonians are (a) the six-pointed star graph (a unit cell of the kagome lattice) and (b) the cuboctahedral graph (the kagome on a sphere). These are also two instances of Quantum Max Cut problem. With the VQE based on the Hamiltonian variational ansatz acting on a valence bond solid initial trial state, we prepared the ground states and obtained the exact ground energy on simulator and high accuracy on noisy hardware. The deep ansatz necessary to reach the ground state of the cuboctahedral graph indicates that it is a hard instance of Quantum Max Cut.

Wang, Yan↗
DOE OSTI2023

Description of reaction and vibrational energetics of CO 2 –NH 3 interaction using quantum computing algorithms

CO 2 capture is critical to solving global warming. Amine-based solvents are extensively used to chemically absorb CO 2 . Thus, it is crucial to study the chemical absorption of CO 2 by amine-based solvents to better understand and optimize CO 2 capture processes. Here, we use quantum computing algorithms to quantify molecular vibrational energies and reaction pathways between CO 2 and a simplified amine-based solvent model—NH 3 . Molecular vibrational properties are important to understanding kinetics of reactions. However, the molecule size correlates with the strength of anharmonicity effect on vibrational properties, which can be challenging to address using classical computing. Quantum computing can help enhance molecular vibrational calculations by including anharmonicity. We implement a variational quantum eigensolver (VQE) algorithm in a quantum simulator to calculate ground state vibrational energies of reactants and products of the CO 2 and NH 3 reaction. The VQE calculations yield ground vibrational energies of CO 2 and NH 3 with similar accuracy to classical computing. In the presence of hardware noise, Compact Heuristic for Chemistry (CHC) ansatz with shallower circuit depth performs better than Unitary Vibrational Coupled Cluster. The “Zero Noise Extrapolation” error-mitigation approach in combination with CHC ansatz improves the vibrational calculation accuracy. Excited vibrational states are accessed with quantum equation of motion method for CO 2 and NH 3 . Using quantum Hartree–Fock (HF) embedding algorithm to calculate electronic energies, the corresponding reaction profile compares favorably with Coupled Cluster Singles and Doubles while being more accurate than HF. Our research showcases quantum computing applications in the study of CO 2 capture reactions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2021

Daily Rainfall Estimate by Emissivity Temporal Variation from 10 Satellites

Rainfall retrieval algorithms for passive microwave radiometers often exploit the brightness temperature depression due to ice scattering at high-frequency channels (≥85 GHz) over land. This study presents an alternate method to estimate the daily rainfall amount using the emissivity temporal variation (i.e., Δe) under rain-free conditions at low-frequency channels (19, 24, and 37 GHz). Emissivity is derived from 10 passive microwave radiometers, including the Global Precipitation Measurement (GPM) Microwave Imager (GMI), the Advanced Microwave Scanning Radiometer 2 (AMSR2), three Special Sensor Microwave Imager/Sounders (SSMIS), the Advanced Technology Microwave Sounder (ATMS), and four Advanced Microwave Sounding Units-A (AMSU-A). Four different satellite combination schemes are used to derive the Δe for daily rainfall estimates. They are all 10 satellites, 5 imagers, 6 satellites with very different equator crossing times, and GMI only. Results show that Δe from all 10 satellites has the best performance with a correlation of 0.60 and RMSE of 6.52 mm, compared with the Integrated Multisatellite Retrievals for GPM (IMERG) Final run product. The 6-satellites scheme has comparable performance with the all-10-satellites scheme. The 5-imagers scheme performs noticeably worse with a correlation of 0.49 and RMSE of 7.28 mm, while the GMI-only scheme performs the worst with a correlation of 0.25 and RMSE of 11.36 mm. The inferior performance from the 5-imagers and GMI-only schemes can be explained by the much longer revisit time, which cannot accurately capture the emissivity temporal variation.

Yalei You↗
NASA NTRS2007

Atmospheric, Cloud, and Surface Parameters Retrieved from Satellite Ultra-spectral Infrared Sounder Measurements

An advanced retrieval algorithm with a fast radiative transfer model, including cloud effects, is used for atmospheric profile and cloud parameter retrieval. This physical inversion scheme has been developed, dealing with cloudy as well as cloud-free radiance observed with ultraspectral infrared sounders, to simultaneously retrieve surface, atmospheric thermodynamic, and cloud microphysical parameters. A fast radiative transfer model, which applies to the clouded atmosphere, is used for atmospheric profile and cloud parameter retrieval. A one-dimensional (1-d) variational multivariable inversion solution is used to improve an iterative background state defined by an eigenvector-regression-retrieval. The solution is iterated in order to account for non-linearity in the 1-d variational solution. This retrieval algorithm is applied to the MetOp satellite Infrared Atmospheric Sounding Interferometer (IASI) launched on October 19, 2006. IASI possesses an ultra-spectral resolution of 0.25 cm(exp -1) and a spectral coverage from 645 to 2760 cm(exp -1). Preliminary retrievals of atmospheric soundings, surface properties, and cloud optical/microphysical properties with the IASI measurements are obtained and presented.

Zhou, Daniel K.↗
DOE OSTI2024

Evaluation of phase shifts for nonrelativistic elastic scattering using quantum computers

Simulations of scattering processes are essential in understanding the physics of our universe. Computing relevant scattering quantities from ab initio methods is extremely difficult on classical devices because of the substantial computational resources needed. Here, this work reports the development of an algorithm that makes it possible to obtain phase shifts for generic nonrelativistic elastic scattering processes on a quantum computer. This algorithm is based on extracting phase shifts from the direct implementation of the real-time evolution. The algorithm is improved by a variational procedure making it more accurate and resistant to the quantum noise. The reliability of the algorithm is first demonstrated by means of classical numerical simulations for different potentials and later tested on existing quantum hardware, specifically on IBM quantum processors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗