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DOE OSTI2023

Enabling Scalable VQE Simulation on Leading HPC Systems

Large-scale simulations of quantum circuits pose significant challenges, especially in the context of quantum chemistry, due to the number of qubits, circuit depth, and the number of circuits needed per problem. High-performance computing (HPC) systems offer massive computational capabilities that could help overcome these obstacles. We developed a high-performance quantum circuit simulator, called NWQ-Sim, and demonstrate its capability to simulate large quantum chemistry problems on NERSC's Perlmutter supercomputer. Integrating NWQ-Sim with XACC, we have executed QPE and VQE algorithms for downfolded quantum chemistry systems at unprecedented scales. Our work demonstrates the potential of leveraging HPC resources to advance quantum chemistry and other applications of near-term quantum devices.

Wang, Meng↗

DOE OSTI2026

SAIL Field Campaign X-Band Precipitation Radar Seasonal Surface Hydrometeor Phase Classification Value-Added Product Report

The Surface Atmosphere Integrated Field Laboratory (SAIL) campaign generated an unprecedented, multisensory record of cold-season precipitation in the Upper Colorado River Basin (UCRB). To complement the Surface Quantitative Precipitation Estimation (SQUIRE) snow water equivalent (SWE) product derived from the Colorado State University (CSU) X-band radar, a hydrometeor phase classification data set was developed to systematically identify phase of the near-surface precipitation. The algorithm uses Corrected Moments in Antenna Coordinates (CMAC) fields with semi-supervised classification (SSC) and fuzzy-logic hydrometeor classification (FHC) methods and maps hydrometeor classes to a compact set of phase classes suitable for Quantitative Precipitation Estimation (QPE) and hydrologic applications. We used SQUIRE grid projections to mitigate beam-blockage issues by selecting the near-surface gates for each beam as well as to make it directly usable for the QPE products.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Simultaneous estimation of multiple eigenvalues with short-depth quantum circuit on early fault-tolerant quantum computers

We introduce a multi-modal, multi-level quantum complex exponential least squares (MM-QCELS) method to simultaneously estimate multiple eigenvalues of a quantum Hamiltonian on early fault-tolerant quantum computers. Our theoretical analysis demonstrates that the algorithm exhibits Heisenberg-limited scaling in terms of circuit depth and total cost. Notably, the proposed quantum circuit utilizes just one ancilla qubit, and with appropriate initial state conditions, it achieves significantly shorter circuit depths compared to circuits based on quantum phase estimation (QPE). Numerical results suggest that compared to QPE, the circuit depth can be reduced by around two orders of magnitude under several settings for estimating ground-state and excited-state energies of certain quantum systems.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

Seasonal Precipitation Classification during Surface Atmosphere Integrated Field Laboratory Campaign

The Surface Atmosphere Integrated Field Laboratory (SAIL) campaign, conducted from September 2021 to June 2023 in Crested Butte, Colorado, aimed to characterize precipitation processes in the Upper Colorado River Basin (UCRB). This increased observations of snowfall accumulation in this hydrologically significant watershed would be useful for quantitative precipitation estimates (QPE). Therefore, the Surface Quantitative Precipitation Estimate (SQUIRE) product was developed using the ARM-supported Colorado State University (CSU) X-band Precipitation Radar. Although SQUIRE will be only released for snowfall, by categorizing precipitation types, users can effectively utilize relevant datasets under diverse meteorological conditions. Moreover, the dataset facilitates validation of the QPE product and the analysis of seasonal variations in precipitation types at the surface. Hydrometeors classes are organized based on their phase and physical characteristics mapping the CSU (both winter Summer) and Py-ART classifications into four groups. 1. Liquid Precipitation: includs drizzle, rain, and large raindrops. 2. Frozen Snow and Ice : Pure Snow, combining ice crystals, aggregates, and vertically oriented ice structures. 3. Dense and Large frozen hydrometeors: including low- and high-density graupel and dry hail. 4.Melting: Wet Snow and Melting Hail, hydrometeors exhibiting both liquid and frozen characteristics.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2002

Better Weather Prediction and Climate Diagnostics Using Rainfall Measurements from Space

Progress in understanding of the role of water in global weather and climate is currently limited by our knowledge of the spatial and temporal variability of primary hydrological fields such as precipitation and evaporation. The Tropical Rainfall Measuring Mission (TRMM) has recently demonstrated that use of microwave-based rainfall observations from space in data assimilation can provide better climate data sets and improve short-range weather forecasting. At NASA, we have been exploring non-traditional approaches to assimilating TRMM Microwave Imager (TMI) and Special Sensor Microwavehager (SSM/I) surface rain rate and latent heating profile information in global systems. In this talk we show that assimilating microwave rain rates using a continuous variational assimilation scheme based on moisture tendency corrections improves quantitative precipitation estimates (QPE) and related clouds, radiation energy fluxes, and large-scale circulations in the Goddard Earth Observing System (GEOS) reanalyses. Short-range forecasts initialized with these improved analyses also yield better QPE scores and storm track predictions for Hurricanes Bonnie and Floyd. We present a status report on current efforts to assimilate convective and stratiform latent heating profile information within the general variational framework of model parameter estimation to seek further improvements. Within the next 5 years, there will be a gradual increase in microwave rain products available from operational and research satellites, culminating to a target constellation of 9 satellites to provide global rain measurements every 3 hours with the proposed Global Precipitation Measurement (GPM) mission in 2007/2008. Based on what has been learned from TRMM, there is a high degree of confidence that these observations can play a'major role in improving weather forecasts and producing better global datasets for understanding the Earth's water and energy cycle. The key to success is to adopt an integrated approach to retrieval, validation, modeling, and data assimilation in a coordinated end-to-end observation-application program.

Hou, Arthur↗

NASA NTRS2013

Comparison of Four Precipitation Forcing Datasets in Land Information System Simulations over the Continental U.S.

The NASA Short ]term Prediction Research and Transition (SPoRT) Center in Huntsville, AL is running a real ]time configuration of the NASA Land Information System (LIS) with the Noah land surface model (LSM). Output from the SPoRT ]LIS run is used to initialize land surface variables for local modeling applications at select National Weather Service (NWS) partner offices, and can be displayed in decision support systems for situational awareness and drought monitoring. The SPoRT ]LIS is run over a domain covering the southern and eastern United States, fully nested within the National Centers for Environmental Prediction Stage IV precipitation analysis grid, which provides precipitation forcing to the offline LIS ]Noah runs. The SPoRT Center seeks to expand the real ]time LIS domain to the entire Continental U.S. (CONUS); however, geographical limitations with the Stage IV analysis product have inhibited this expansion. Therefore, a goal of this study is to test alternative precipitation forcing datasets that can enable the LIS expansion by improving upon the current geographical limitations of the Stage IV product. The four precipitation forcing datasets that are inter ]compared on a 4 ]km resolution CONUS domain include the Stage IV, an experimental GOES quantitative precipitation estimate (QPE) from NESDIS/STAR, the National Mosaic and QPE (NMQ) product from the National Severe Storms Laboratory, and the North American Land Data Assimilation System phase 2 (NLDAS ]2) analyses. The NLDAS ]2 dataset is used as the control run, with each of the other three datasets considered experimental runs compared against the control. The regional strengths, weaknesses, and biases of each precipitation analysis are identified relative to the NLDAS ]2 control in terms of accumulated precipitation pattern and amount, and the impacts on the subsequent LSM spin ]up simulations. The ultimate goal is to identify an alternative precipitation forcing dataset that can best support an expansion of the real ]time SPoRT ]LIS to a domain covering the entire CONUS.

Case, Jonathan L.↗

NASA NTRS2018

Observed Response of the Raindrop Size Distribution to Changes in the Melting Layer

Vertical variability in the raindrop size distribution (RSD) can disrupt the basic assumption of a constant rain profile that is customarily parameterized in radar-based quantitative precipitation estimation (QPE) techniques. This study investigates the utility of melting layer (ML) characteristics to help prescribe the RSD, in particular the mass-weighted mean diameter (Dm), of stratiform rainfall. We utilize ground-based polarimetric radar to map the ML and compare it with Dm observations from the ground upwards to the bottom of the ML. The results show definitive proof that a thickening, and to a lesser extent a lowering, of the ML causes an increase in raindrop diameter below the ML that extends to the surface. The connection between rainfall at the ground and the overlying microphysics in the column provide a means for improving radar QPE at far distances from a ground-based radar or close to the ground where satellite-based radar rainfall retrievals can be ill-defined.

Weather↗

NASA NTRS2021

Extreme Lake-Effect Snow from a GPM Microwave Imager Perspective: Observational Analysis and Precipitation Retrieval Evaluation

This study focuses on the ability of the Global Precipitation Measurement (GPM) passive microwave sensors to detect and provide quantitative precipitation estimates (QPE) for extreme lake-effect snowfall events over the United States lower Great Lakes region. GPM Microwave Imager (GMI) high frequency channels can clearly detect intense shallow convective snowfall events. However, GMI Goddard PROfiling (GPROF) QPE retrievals produce inconsistent results when compared against the Multi-Radar/Multi-Sensor (MRMS) ground-based radar reference dataset. While GPROF retrievals adequately capture intense snowfall rates and spatial patterns of one event, GPROF systematically underestimates intense snowfall rates in another event. Furthermore, GPROF produces abundant light snowfall rates that do not conform with MRMS observations. Ad-hoc precipitation rate thresholds are suggested to partially mitigate GPROF’s overproduction of light snowfall rates. The sensitivity and retrieval efficiency of GPROF to key parameters (2-meter temperature, total precipitable water, and background surface type) used to constrain the GPROF a-priori retrieval database are investigated. Results demonstrate that typical lake-effect snow environmental and surface conditions, especially coastal surfaces, are underpopulated in the database and adversely affect GPROF retrievals. For the two presented case studies, using snow cover a-priori database in the locations of originally deemed as coastline improves retrieval. This study suggests that it is particularly important to have more accurate GPROF surface classifications and better representativeness of the a-priori databases to improve intense lake-effect snow detection and retrieval performance.

Lisa Milani↗

DOE OSTI2024

Quasi-periodic X-ray eruptions years after a nearby tidal disruption event

Abstract Quasi-periodic eruptions (QPEs) are luminous bursts of soft X-rays from the nuclei of galaxies, repeating on timescales of hours to weeks 1–5 . The mechanism behind these rare systems is uncertain, but most theories involve accretion disks around supermassive black holes (SMBHs) undergoing instabilities 6–8 or interacting with a stellar object in a close orbit 9–11 . It has been suggested that this disk could be created when the SMBH disrupts a passing star 8,11 , implying that many QPEs should be preceded by observable tidal disruption events (TDEs). Two known QPE sources show long-term decays in quiescent luminosity consistent with TDEs 4,12 and two observed TDEs have exhibited X-ray flares consistent with individual eruptions 13,14 . TDEs and QPEs also occur preferentially in similar galaxies 15 . However, no confirmed repeating QPEs have been associated with a spectroscopically confirmed TDE or an optical TDE observed at peak brightness. Here we report the detection of nine X-ray QPEs with a mean recurrence time of approximately 48 h from AT2019qiz, a nearby and extensively studied optically selected TDE 16 . We detect and model the X-ray, ultraviolet (UV) and optical emission from the accretion disk and show that an orbiting body colliding with this disk provides a plausible explanation for the QPEs.

Science & Technology - Other Topics↗

DOE OSTI2021

Scale-Dependent Value of QPF for Real-Time Streamflow Forecasting

Incorporating rainfall forecasts into a real-time streamflow forecasting system extends the forecast lead time. Since quantitative precipitation forecasts (QPFs) are subject to substantial uncertainties, questions arise on the trade-off between the time horizon of the QPF and the accuracy of the streamflow forecasts. This study explores the problem systematically, exploring the uncertainties associated with QPFs and their hydrologic predictability. The focus is on scale dependence of the trade-off between the QPF time horizon, basin-scale, space-time scale of the QPF, and streamflow forecasting accuracy. To address this question, the study first performs a comprehensive independent evaluation of the QPFs at 140 U.S. Geological Survey (USGS) monitored basins with a wide range of spatial scales (~10 – 40,000 km 2 ) over the state of Iowa in the Midwestern United States. The study uses High-Resolution Rapid Refresh (HRRR) and Global Forecasting System (GFS) QPFs for short and medium-range forecasts, respectively. Using Multi-Radar Multi-Sensor (MRMS) quantitative precipitation estimate (QPE) as a reference, the results show that the rainfall-to-rainfall QPF errors are scale-dependent. The results from the hydrologic forecasting experiment show that both QPFs illustrate clear value for real-time streamflow forecasting at longer lead times in the short- to medium-range relative to the no-rain streamflow forecast. The value of QPFs for streamflow forecasting is particularly apparent for basin sizes below 1,000 km 2 . The space-time scale, or reference time t r ) (ratio of forecast lead time to basin travel time) ~ 1 depicts the largest streamflow forecasting skill with a systematic decrease in forecasting accuracy for t r > 1.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

VQE method: a short survey and recent developments

Abstract The variational quantum eigensolver (VQE) is a method that uses a hybrid quantum-classical computational approach to find eigenvalues of a Hamiltonian. VQE has been proposed as an alternative to fully quantum algorithms such as quantum phase estimation (QPE) because fully quantum algorithms require quantum hardware that will not be accessible in the near future. VQE has been successfully applied to solve the electronic Schrödinger equation for a variety of small molecules. However, the scalability of this method is limited by two factors: the complexity of the quantum circuits and the complexity of the classical optimization problem. Both of these factors are affected by the choice of the variational ansatz used to represent the trial wave function. Hence, the construction of an efficient ansatz is an active area of research. Put another way, modern quantum computers are not capable of executing deep quantum circuits produced by using currently available ansatzes for problems that map onto more than several qubits. In this review, we present recent developments in the field of designing efficient ansatzes that fall into two categories—chemistry–inspired and hardware–efficient—that produce quantum circuits that are easier to run on modern hardware. We discuss the shortfalls of ansatzes originally formulated for VQE simulations, how they are addressed in more sophisticated methods, and the potential ways for further improvements.

Fedorov, Dmitry A. (ORCID:0000000316598580)↗

DOE OSTI2026

Optimal Coherent Quantum Phase Estimation [Slides]

Many applications of quantum phase estimation (QPE) require it to be implemented coherently and with high confidence. We outline an algorithm that achieves both goals using optimal resources.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

CACTI CSAPR2 Taranis Retrievals

Taranis is an end-to-end processing chain for radar data written in Python with C extension for computation performance. Features include: masking for quality control, specific differential phase (Kdp), attenuation correction for reflectivity factor (Z) and differential reflectivity (Zdr) in rain, and additional geophysical retrievals. Retrievals are mostly drawn from literature or open-source software when appropriate, and have been tested, tuned, and modified to work with one another cohesively rather than using isolated off-the-shelf algorithms. Incorporated algorithms include hydrometeor (echo) identification, rain water content, raindrop mass-weighted mean diameter (gamma size distribution assumption), and rainfall rate (QPE). Taranis data sets exist for CSAPR2 PPI, HSRHI, and sector RHI scans. Cartesian-gridded data sets were also produced as well as a near-surface rain rate retrieval. More details can be found in the README.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2026

BNF C-band Scanning ARM Precipitation Radar 2nd Generation (CSAPR-2) Extracted Radar Columns and In-Situ Sensors (RadCLss)

Corrected Moments in Antenna Coordinates (CMAC) calculates quantitative precipitation estimates (QPE) from empirical relationships based on equivalent radar reflectivity factor, specific differ- ential phase, and specific attenuation. To evaluate these empirical relationships, the Extracted Radar Columns and In-Situ Sensors (RADclss) product was developed. Utilizing Py-ART, RAD- clss extracts CMAC radar columns above various ARM and partner locations. These columns are then spatiotemporally synced with in-situ observations at the surface utilizing the Atmospheric data Community Toolkit (ACT; Theisen et al. 2025), allowing direct comparison of radar parameters with rain gauges and laser disdrometers for further investigation.

bankhead↗

NASA NTRS2000

The Use of Water Vapor for Detecting Environments that Lead to Convectively Produced Heavy Precipitation and Flash Floods

This Tech Report summarizes years of study and experiences on using GOES Water vapor (6.7 micron and precipitable water) and Special Sensor Microwave Imager (SSM/1) from the Defense Meteorological Satellite Program (DMSP) derived Precipitable Water (PNAI) for detecting environments favorable for convectively produced flash floods. An emphasis is on the moisture. upper air flow, and equivalent potential temperature (Theta(sub e)) patterns that lead to devastating flood events. The 15 minute 6.7 micron water vapor imagery is essential for tracking middle to upper tropospheric disturbances that produce upward vertical motion and initiate flash flood producing systems. Water vapor imagery at 6.7 micron is also used to detect surges of upper level moisture (called tropical water vapor plumes) that have been associated with extremely heavy rainfall. Since the water vapor readily depicts lifting mechanisms and upper level moisture, water vapor imagery is often an excellent source of data for recognizing patterns of heavy precipitation and flash floods. In order to analyze the depth of the moisture, the PW aspects of the troposphere must be measured. The collocation (or nearby location) of high values ofP\V and instability are antecedent conditions prior to the flash flood or heavy rainfall events. Knowledge of PW magnitudes have been used as thresholds for impending flash flood events, PW trends are essential in flash flood prediction. Conceptual models and water vapor products are used to study some of the characteristics of convective systems that occurred over the United States of America (USA) during the summer of 1997 and the 1997-1998 El Nino. P\V plumes were associated with most of the \vest coast heavy precipitation events examined during the winter season of 1997 - 1998, In another study, conducted during the summer season of 1997. results showed that the collocation of water vapor (6.7 micron) and P\N' plumes possessed higher correlations with predicted rainfall amounts than when PW plumes occurred by themselves (i.e.. without the presence of 6.7 micron water vapor plumes). Satellite Analysis Branch (SAB) meteorologists use the 6.7 micron water and P\V products for their QPE's (interactive Flash Flood Analyzer (IFFA) and Auto-Estimator precipitation estimates), Outlooks, and heavy precipitation briefings with the Hydrometeorological Prediction Center/National Center for Environmental Prediction.

Scofield, Rod↗

NASA NTRS2002

Structure of the Highly Sheared Tropical Storm Chantal During CAMEX -4

On 20 August 2001 during the Convection and Moisture Experiment 4 (CAMEX-4) and NOAA Hurricane Field Program (HFP2001), the NASA high-altitude ER-2 and medium-altitude DC-8, and lower-altitude NOAA P3 aircraft conducted a coordinated Quantitative Precipitation Estimation (QPE) mission focused on convection in Tropical Storm Chantal. This storm first became a depression on 14 August, a tropical storm on 17 August, and it maintained maximum winds of about 65-70 mph during 19-20 August with minimum pressures ranging from 1008 mb on 19 August to 1001 mb late on 20 August. The storm was westward moving and was forecasted to intensify and landfall near the Yucatan-Belize border late on 20 August. Chanter failed to intensify and instead exhibited a highly sheared structure with an open low-level circulation and intense convection well to the northeast of this circulation center. The NASA ER-2 and DC-8 aircraft were closely coordinated with the NOAA P3 (NOAA-42). The NASA aircraft collected remote sensing and in situ data sets, while the P3 collected lower level in situ and radar data; both the DC-8 and P3 released 7 and 24 dropsondes, respectively. These aircraft measurements provided a unique opportunity to examine the structure of a sheared system and why it did not develop as forecasted a few days earlier. This paper will describe a preliminary study of the precipitation and wind structure provided by the NASA aircraft within the context of the NOAA P3 measurements.

Heymsfield, Gerald M.↗

NASA NTRS2002

Impact of TRMM and SSM/I Rainfall Assimilation on Global Analysis and QPF

Evaluation of QPF skills requires quantitatively accurate precipitation analyses. We show that assimilation of surface rain rates derived from the Tropical Rainfall Measuring Mission (TRMM) Microwave Imager and Special Sensor Microwave/Imager (SSM/I) improves quantitative precipitation estimates (QPE) and many aspects of global analyses. Short-range forecasts initialized with analyses with satellite rainfall data generally yield significantly higher QPF threat scores and better storm track predictions. These results were obtained using a variational procedure that minimizes the difference between the observed and model rain rates by correcting the moist physics tendency of the forecast model over a 6h assimilation window. In two case studies of Hurricanes Bonnie and Floyd, synoptic analysis shows that this procedure produces initial conditions with better-defined tropical storm features and stronger precipitation intensity associated with the storm.

Hou, Arthur↗

NASA NTRS2003

How Can The SN-GRB Time Delay Be Measured?

The connection between SNe and GRBs, launched by SN 1998bw / GRB 980425 and clinched by SN 2003dh / GRB 030329-with the two GRBs differing by a factor of approximately 50000 in luminosity-so far suggests a rough upper limit of approximately 1-2 days for the delay between SN and GRB. Only four SNe have had nonnegligible coverage in close coincidence with the initial explosion, near the W shock breakout: two Qpe II, and two Type IC, SN 1999ex and SN 1998bw. For the latter, only a hint of the minimum between the UV maximum and the radioactivity bump served to help constrain the interval between SN and GRB. Swift GRB alerts may provide the opportunity to study many SNe through the UV breakout phase: GRB 980425 look dikes -apparently nearby, low- luminosity, soft-spectrum, long-lag GRBs-accounted for half of BATSE bursts near threshold, and may dominate the Swift yield near threshold, since it has sensitivity to lower energies than did BATSE. The SN to GRB delay timescale should be better constrained by prompt UV/optical observations alerted by these bursts. Definitive delay measurements may be obtained if long-lag bursters are truly nearby: The SNe/GRBs could emit gravitational radiation detectable by LIGO-II if robust non-axisymmetric bar instabilities develop during core collapse, and/or neutrino emission may be detectable as suggested by Meszaros et al.

Norris, J. P.↗