Classical benchmarks for variational quantum eigensolver simulations of strongly correlated systems
Explore the source record for details and available documents.
Antonios M Alvertis↗
SEARCH · Search NASA
Results for “Strongly Correlated Systems”
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.
Conserving approximations for strongly correlated electron systems - Bethe-Salpeter equation and dynamics for the two-dimensional Hubbard model
A semianalytical approach is described for strongly correlated electronic systems which satisfies microscopic conservation laws, treats strong frequency and momentum dependences, and provides information on both static and dynamic properties. This approach may be used to treat large systems and temperatures lower than those currently accessible to finite-temperature quantum Monte Carlo techniques. Examples of such systems include heavy-electron compounds, organic Bechegaard salts, bis-(ethylenedithiolo)-TTF superconductors, and the oxide superconductors. The technique is based on the derivation and self-consistent solution of infinite-order conserving approximations. The technique is used to derive a low-temperature phase diagram and dynamic correlation functions for the two-dimensional Hubbard lattice model.
Bickers, N. E.↗
Ab initio ground states of strongly-correlated materials on quantum computers
The accurate first-principles description of strongly-correlated materials is an important and challenging problem in condensed matter physics. Ab initio downfolding has emerged as a way of deriving accurate many-body Hamiltonians including strong correlations, representing a subspace of interest of a material, using density functional theory calculations as a starting point. However, the solution of these material-specific models can scale exponentially on classical computers, constituting a challenge. Here we propose that utilizing quantum computers for obtaining the properties of downfolded Hamiltonians yields an accurate description of the ground state properties of strongly-correlated systems, while circumventing the exponential scaling problem. We benchmark the solution of Hubbard-like models obtained through downfolding by utilizing a classical tensor network implementation of variational quantum eigensolvers (VQE), and we reveal a strategy for driving the optimization through a hybrid minimization of the energy and maximization of the overlap with an approximate solution obtained through low-cost computational methods. This results in a reduction of the energy error by orders of magnitude compared to conventional VQE approaches, and allows us to reproduce long-range correlations for the first time. We demonstrate our first-principles approach for diverse strongly-correlated materials, correctly predicting the antiferromagnetic state of one-dimensional cuprate Ca 2 CuO 3 , the excitonic ground state of monolayer WTe2, and the charge-ordered state of correlated metal SrVO 3 . Our efficient computational implementation allows us to simulate large systems with up to 54 qubits and encompassing up to four correlated bands, which is indicative of the complexity that our framework can address.
Antonios M Alvertis↗
Theoretical Modeling and Computer Simulations for the Origins and Evolution of Reproducing Molecular Systems and Complex Systems with Many Interactive Parts
Our research effort has produced nine publications in peer-reviewed journals listed at the end of this report. The work reported here are in the following areas: (1) genetic network modeling; (2) autocatalytic model of pre-biotic evolution; (3) theoretical and computational studies of strongly correlated electron systems; (4) reducing thermal oscillations in atomic force microscope; (5) transcription termination mechanism in prokaryotic cells; and (6) the low glutamine usage in thennophiles obtained by studying completely sequenced genomes. We discuss the main accomplishments of these publications.
Liang, Shoudan↗
CCD observations of Abell clusters. IV - Surface photometry of 175 brightest cluster galaxies
The present data from a consistent body of CCD aperture and surface photometry for the brightest galaxies in 175 clusters from the Abell catalog confirm the dispersion in the aperture luminosities for first-ranked cluster galaxies of about 0.32 mag, as well as the documented trends of luminosity with Bautz-Morgan class and cluster richness. Half of these objects are multiple-nucleus systems; multiplicity is not strongly correlated with cluster morphology or richness, and the fraction of multiples is 2-10 times higher than would be produced by random projection in the cores of Hubble-law clusters. The average distance of the secondary nuclei from the luminosity center of the galaxy is significantly less than the value expected from random projections.
Hoessel, J. G.↗
The effects of interactions on spiral galaxies. II - Disk star-formation rates
H-alpha emission-line and IRAS far-IR observations of interacting spiral and irregular galaxies are here used to assess the influence of interactions on their global star-formation rates. Two samples of interacting galaxies were observed: a complete sample of close pairs, and an Arp atlas sample of peculiar systems. When compared to a control sample of single galaxies, both samples of interacting systems exhibit systematically higher levels of H-alpha and infrared emission on average, and a larger dispersion in emission properties. Emission levels in the very active system are much more strongly correlated with the properties of the interaction than with the internal properties of the galaxies themselves. Strong disk emission is almost always accompanied by unusually strong nuclear activity. Simple star-formation burst models can reproduce the observed H-alpha equivalent widths and broadband colors of most of the galaxies. The bursts are relatively short (few times 10 million yr) and rarely involve more than 1-2 percent of a galaxy's total mass.
Kennicutt, Robert C., Jr.↗
Correlations among the parameters of the spherical model for eclipsing binaries
Correlation coefficients were computed to investigate the parameters for describing the spherical model of an eclipsing binary system. Regions in parameter hyperspace were identified where strong correlations exist and, by implication, the solution determinacy is low. The results are presented in tabular form for a large number of system configurations.
Sobieski, S.↗
Viral coefficient and hidden mass in the galaxy groups
The purpose is the verification of the virial mass estimations for small galaxy groups. The dynamical evolution of triple and quintuple galaxies was studied by the numerical simulations. The dependence of the virial coefficient k(t) versus time was derived. Initial k(O) = O. The function k(t) has some strong oscillations from 0.02 to 0.99. Generally, these oscillations are quasiperiodical ones. Such a behavior of k(t) is caused by formation in a system of close isolated temporary double subsystems. A strong correlation between the virial coefficient and the least mutual distance in the system is observed. Such wide oscillations may add into the estimation of virial mass of the galaxy groups an uncertainty of more than one order. An additional uncertainty is introduced by the projection effect. This uncertainty for the individual estimations of the masses approach three orders. Thus any individual estimation of the virial mass is impossible for small galaxy groups. Some possibility of statistical estimation (median or average) of the total mass, including a hidden mass, is shown for the homogeneous samples. The authors propose a method for these estimations based on a comparison of the medians of dynamical parameters (a mean size in projection and a dispersion of relative radial velocities) for the simulated and observed ensembles of the galaxy groups. This method has been applied to a sample of 46 probably physical triplets of galaxies. The probable median of the hidden mass in a volume of the triplet is about 4 M, where M is the total mass of visible matter.
Anosova, Joanna P.↗
A correlation between colors of Jovian clouds and their 5-micron temperatures.
Observations of Jupiter at 5 microns by Keay, Low, and Rieke were compared with color photographs by Minton and Kutoroff taken near the same epoch. A strong correlation is evident between the 5-micron temperature distribution on the Jupiter disk and the cloud colors. Further comparison is made with photographs in the .888-micron CH4 absorption band. Strong correlations exist for features in System II latitudes at all three wavelegths but not for those that move with System I. This is attributed to more intensive convection in the Equatorial Zone. Owen's suggestion that colors may result from at least two mechanisms appears valid; a third appears responsible for blue features only.
Minton, R. B.↗
A correlation between colors of Jovian clouds and their 5 micron temperatures
Observations of Jupiter at 5 micron by Keay, Low, and Rieke were compared with color photographs by Minton and Kutoroff taken near the same epoch. A strong correlation is evident between the 5 micron temperature distribution on the Jupiter disk and the cloud colors. Further comparison is made with photographs in the .888 micron CH4 absorption band. Strong correlations exist for features in System 2 latitudes at all three wavelengths but not for those that move with System 1. This is attributed to more intensive convection in the Equatorial Zone. Owen's suggestion that colors may result from at least two mechanisms appears valid; a third appears responsible for blue features only.
Minton, R. B.↗
Interstellar absorption in the Mg II resonance line k2 and h2 emissions
High-resolution (0.2 A) IUE spectra for the long wavelength range (1800-3000 A) have been studied. It is shown that narrow interstellar Mg II lines are seen in the center of the k2 and h2 emissions from nearby stars with large rotational velocities. For all observed stars, the radial velocity of the central k3 absorption component in the rest system of the star is strongly correlated with the mirror image of the radial velocity of the stars; this shows that a major fraction if not all of the k3 absorption is due to interstellar absorption in the solar neighborhood. The violet to red asymmetry of the k2 emission also correlates with the radial velocities of the star; this shows that the shift of k3 is due to the velocity shift of the local interstellar cloud with respect to the star.
Boehm-Vitense, E.↗
X-Ray and Optical Observations of A 0535+26
We present recent contemporaneous X-ray and optical observations of the Be/X-ray binary system A 0535+26 with the Fermi/Gamma-ray Burst Monitor (GBM) and several ground-based observatories. These new observations are put into the context of the rich historical data (since 1978) and discussed in terms of the neutron-star-Be-disk interaction. The Be circumstellar disk was exceptionally large just before the 2009 December giant outburst, which may explain the origin of the unusual recent X-ray activity of this source. We found a peculiar evolution of the pulse profile during this giant outburst, with the two main components evolving in opposite ways with energy. A hard 30-70 mHz X-ray quasi-periodic oscillation was detected with GBM during this 2009 December giant outburst. It becomes stronger with increasing energy and disappears at energies below 25 keV. In the long term a strong optical/X-ray correlation was found for this system, however in the medium term the Halpha equivalent width and the V-band brightness showed an anti-correlation after 2002 August. Each giant X-ray outburst occurred during a decline phase of the optical brightness, while the H showed a strong emission. In late 2010 and before the 2011 February outburst, rapid V/R variations are observed in the strength of the two peaks of the H line. These had a period of 25 days and we suggest the presence of a global one-armed oscillation to explain this scenario. A general pattern might be inferred, where the disk becomes weaker and shows V/R variability beginning 6 months following a giant outburst.
Camero-Arranz, A.↗
Correlations among the parameters of the spherical model for eclipsing binaries.
Correlation coefficients have been computed to investigate the parameters used to describe the spherical model of an eclipsing binary system. Regions in parameter hyperspace have been identified where strong correlations exist and, by implication, the solution determinacy is low. The results are presented in tabular form for a large number of system configurations.
Sobieski, S.↗
A possible relationship between metal abundance and luminosity for disk galaxies
Near-infrared colors have been measured for a sample of 31 late-type galaxies in the Pegasus I and Pisces clusters; system luminosities in the sample cover the range of M(H) between -19 and -23.5. The color index (J - K) correlates strongly with the absolute H magnitude; lower-luminosity systems have bluer colors. These observations are consistent with the assumption that the mean metal abundance of the old disk population decreases systematically with luminosity. The systematic variation (B - H) with absolute H magnitude reported recently by Tully et al. (1982) derives in part from this proposed systematic change of metallicity with luminosity. However, a relative increase in the number of newly formed stars and/or a systematic smaller age for lower-luminosity disks must still be posited in order to fully explain the observed (B - H), H relation.
Bothun, G. D.↗
Evaluating Alerting and Guidance Performance of a UAS Detect-And-Avoid System
A key challenge to the routine, safe operation of unmanned aircraft systems (UAS) is the development of detect-and-avoid (DAA) systems to aid the UAS pilot in remaining "well clear" of nearby aircraft. The goal of this study is to investigate the effect of alerting criteria and pilot response delay on the safety and performance of UAS DAA systems in the context of routine civil UAS operations in the National Airspace System (NAS). A NAS-wide fast-time simulation study was conducted to assess UAS DAA system performance with a large number of encounters and a broad set of DAA alerting and guidance system parameters. Three attributes of the DAA system were controlled as independent variables in the study to conduct trade-off analyses: UAS trajectory prediction method (dead-reckoning vs. intent-based), alerting time threshold (related to predicted time to LoWC), and alerting distance threshold (related to predicted Horizontal Miss Distance, or HMD). A set of metrics, such as the percentage of true positive, false positive, and missed alerts, based on signal detection theory and analysis methods utilizing the Receiver Operating Characteristic (ROC) curves were proposed to evaluate the safety and performance of DAA alerting and guidance systems and aid development of DAA system performance standards. The effect of pilot response delay on the performance of DAA systems was evaluated using a DAA alerting and guidance model and a pilot model developed to support this study. A total of 18 fast-time simulations were conducted with nine different DAA alerting threshold settings and two different trajectory prediction methods, using recorded radar traffic from current Visual Flight Rules (VFR) operations, and supplemented with DAA-equipped UAS traffic based on mission profiles modeling future UAS operations. Results indicate DAA alerting distance threshold has a greater effect on DAA system performance than DAA alerting time threshold or ownship trajectory prediction method. Further analysis on the alert lead time (time in advance of predicted loss of well clear at which a DAA alert is first issued) indicated a strong positive correlation between alert lead time and DAA system performance (i.e. the ability of the UAS pilot to maneuver the unmanned aircraft to remain well clear). While bigger distance thresholds had beneficial effects on alert lead time and missed alert rate, it also generated a higher rate of false alerts. In the design and development of DAA alerting and guidance systems, therefore, the positive and negative effects of false alerts and missed alerts should be carefully considered to achieve acceptable alerting system performance by balancing false and missed alerts. The results and methodology presented in this study are expected to help stakeholders, policymakers and standards committees define the appropriate setting of DAA system parameter thresholds for UAS that ensure safety while minimizing operational impacts to the NAS and equipage requirements for its users before DAA operational performance standards can be finalized.
UAS Detect-and-Avoid (DAA) System↗
Correlation of infrared reflectance ratios at 2.3 microns/1.6 micron and 1.1 micron/1.6 micron with delta O-18 values delineating fossil hydrothermal systems in the Idaho batholith
Reflectance ratios from laboratory spectra and airborne multispectral images are found to be strongly correlated with delta O-18 values of granite rocks in the Idaho batholith. The correlation is largely a result of interactions between hot water and rock, which lowered the delta O-18 values of the rocks and produced secondary hydrous material. Maps of the ratio of reflectivities at 2.3 and 1.6 microns should delineate fossil hydrothermal systems and provide estimates of alteration intensity. However, hydrous minerals produced during deuteric alteration or weathering cannot be unambiguously distinguished in remotely sensed images from the products of propylitic alteration without the use of narrow-band scanners. The reflectivity at 1.6 micron is strongly correlated with rock density and may be useful in distinguishing rock types in granitic terranes.
Gillespie, A. R.↗
Human Factors Assessment of Disturbances to Scheduled Performance-Based Navigation Arrival Operations
The introduction of Performance-Based Navigation (PBN) specifications to air traffic management has resulted in many benefits during nominal operations, including shorter flight paths, reduced fuel costs, and improved terminal area arrival rates. However, these benefits become less noticeable during off-nominal operations where aircraft are routinely interrupted from staying on PBN procedures due to disturbances such as missed approaches. This human-in-the-loop (HITL) study used multiple types of disturbance events to perturb the arrival schedule. Perturbed schedules were managed with different types of schedule adjustments, including a condition with no adjustments. The study collected data on a host of dependent variables, including human factors measures on controller workload and system performance measures such as schedule nonconformance (nc). Initial analyses showed strong correlations between aggregated controller workload and aggregated nc, as well as benefits of both automatic and manual schedule adjustments for increasing system performance, such as reduced PBN procedure interruptions. The goal of this paper is to further test these initial findings. The results indicated that an increase in schedule nonconformance correlated with an increase in controller workload at specific time intervals, and automated schedule adjustments consistently reduced controller workload associated with nonconformance.
Human factors↗
Terrestrial mass extinctions, cometary impacts and the sun's motion perpendicular to the galactic plane
An analysis of the data of Raup and Sepkoski (1984) is reported which suggests that the dominant cyclicity in major marine extinctions during at least the past 250 Myr is 30 + or - 1 Myr, with the standard deviation of an individual episode being + or - 9 Myr. This terrestrial cycle is found to be strongly correlated with the time needed for the solar system to oscillate vertically about the galactic plane. It is argued that galactic triggering or forcing of terrestrial biological crises may arise as a result of collisions or close encounters of the solar system with clouds of gas and dust, which would gravitationally perturb the solar system's family of comets and thereby increase the flux of comets and meteorites near the earth, leading to large-body impacts. A dominant cyclicity of 31 + or - 1 Myr is found for the observed age distribution of impact craters on earth, the phase of this cycle agreeing with the shown by the major biological crises.
Rampino, M. R.↗