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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 19 records
All sourcesNASA NTRSDOE OSTI
NASA NTRS2011

Toward a Framework for Systematic Error Modeling of NASA Spaceborne Radar with NOAA/NSSL Ground Radar-Based National Mosaic QPE

Characterization of the error associated to satellite rainfall estimates is a necessary component of deterministic and probabilistic frameworks involving space-born passive and active microwave measurement") for applications ranging from water budget studies to forecasting natural hazards related to extreme rainfall events. We focus here on the error structure of NASA's Tropical Rainfall Measurement Mission (TRMM) Precipitation Radar (PR) quantitative precipitation estimation (QPE) at ground. The problem is addressed by comparison of PR QPEs with reference values derived from ground-based measurements using NOAA/NSSL ground radar-based National Mosaic and QPE system (NMQ/Q2). A preliminary investigation of this subject has been carried out at the PR estimation scale (instantaneous and 5 km) using a three-month data sample in the southern part of US. The primary contribution of this study is the presentation of the detailed steps required to derive trustworthy reference rainfall dataset from Q2 at the PR pixel resolution. It relics on a bias correction and a radar quality index, both of which provide a basis to filter out the less trustworthy Q2 values. Several aspects of PR errors arc revealed and quantified including sensitivity to the processing steps with the reference rainfall, comparisons of rainfall detectability and rainfall rate distributions, spatial representativeness of error, and separation of systematic biases and random errors. The methodology and framework developed herein applies more generally to rainfall rate estimates from other sensors onboard low-earth orbiting satellites such as microwave imagers and dual-wavelength radars such as with the Global Precipitation Measurement (GPM) mission.

Kirstettier, Pierre-Emmanual↗
NASA NTRS2012

Comparison of TRMM 2A25 Products Version 6 and Version 7 with NOAA/NSSL Ground Radar-Based National Mosaic QPE

Characterization of the error associated to satellite rainfall estimates is a necessary component of deterministic and probabilistic frameworks involving spaceborne passive and active microwave measurements for applications ranging from water budget studies to forecasting natural hazards related to extreme rainfall events. We focus here on the error structure of Tropical Rainfall Measurement Mission (TRMM) Precipitation Radar (PR) quantitative precipitation estimation (QPE) at ground. The problem was addressed in a previous paper by comparison of 2A25 version 6 (V6) product with reference values derived from NOAA/NSSL's ground radar-based National Mosaic and QPE system (NMQ/Q2). The primary contribution of this study is to compare the new 2A25 version 7 (V7) products that were recently released as a replacement of V6. This new version is considered superior over land areas. Several aspects of the two versions are compared and quantified including rainfall rate distributions, systematic biases, and random errors. All analyses indicate V7 is an improvement over V6.

Kirstetter, Pierre-Emmanuel↗
NASA NTRS1989

QATT: a Natural Language Interface for QPE

QATT, a natural language interface developed for the Qualitative Process Engine (QPE) system is presented. The major goal was to evaluate the use of a preexisting natural language understanding system designed to be tailored for query processing in multiple domains of application. The other goal of QATT is to provide a comfortable environment in which to query envisionments in order to gain insight into the qualitative behavior of physical systems. It is shown that the use of the preexisting system made possible the development of a reasonably useful interface in a few months.

White, Douglas Robert-Graham↗
NASA NTRS2011

Quantifying Errors in TRMM-Based Multi-Sensor QPE Products Over Land in Preparation for GPM

Determining uncertainties in satellite-based multi-sensor quantitative precipitation estimates over land of fundamental importance to both data producers and hydro climatological applications. ,Evaluating TRMM-era products also lays the groundwork and sets the direction for algorithm and applications development for future missions including GPM. QPE uncertainties result mostly from the interplay of systematic errors and random errors. In this work, we will synthesize our recent results quantifying the error characteristics of satellite-based precipitation estimates. Both systematic errors and total uncertainties have been analyzed for six different TRMM-era precipitation products (3B42, 3B42RT, CMORPH, PERSIANN, NRL and GSMap). For systematic errors, we devised an error decomposition scheme to separate errors in precipitation estimates into three independent components, hit biases, missed precipitation and false precipitation. This decomposition scheme reveals hydroclimatologically-relevant error features and provides a better link to the error sources than conventional analysis, because in the latter these error components tend to cancel one another when aggregated or averaged in space or time. For the random errors, we calculated the measurement spread from the ensemble of these six quasi-independent products, and thus produced a global map of measurement uncertainties. The map yields a global view of the error characteristics and their regional and seasonal variations, reveals many undocumented error features over areas with no validation data available, and provides better guidance to global assimilation of satellite-based precipitation data. Insights gained from these results and how they could help with GPM will be highlighted.

Peters-Lidard, Christa D.↗
NASA NTRS2016

Utilizing the Vertical Variability of Precipitation to Improve Radar QPE

Characteristics of the melting layer and raindrop size distribution can be exploited to further improve radar quantitative precipitation estimation (QPE). Using dual-polarimetric radar and disdrometers, we found that the characteristic size of raindrops reaching the ground in stratiform precipitation often varies linearly with the depth of the melting layer. As a result, a radar rainfall estimator was formulated using D(sub m) that can be employed by polarimetric as well as dual-frequency radars (e.g., space-based radars such as the GPM DPR), to lower the bias and uncertainty of conventional single radar parameter rainfall estimates by as much as 20%. Polarimetric radar also suffers from issues associated with sampling the vertical distribution of precipitation. Hence, we characterized the vertical profile of polarimetric parameters (VP3)-a radar manifestation of the evolving size and shape of hydrometeors as they fall to the ground-on dual-polarimetric rainfall estimation. The VP3 revealed that the profile of ZDR in stratiform rainfall can bias dual-polarimetric rainfall estimators by as much as 50%, even after correction for the vertical profile of reflectivity (VPR). The VP3 correction technique that we developed can improve operational dual-polarimetric rainfall estimates by 13% beyond that offered by a VPR correction alone.

Precipitation↗
DOE OSTI2025

Practical Scalability of LuGo: Benchmarking the HHL Algorithm Using an Enhanced QPE Algorithm

The HHL algorithm is a prominent quantum algorithm that offers exponential speedup over its classical counterparts for solving a system of linear equations. However, synthesizing and executing HHL circuits demand significant computational resources from both classical and quantum systems. In this paper, we benchmark the HHL algorithm using the optimized Quantum Phase Estimation (QPE) generation algorithm, LuGo \cite{lu2025lugo}, to enhance its scalability and efficiency. We leverage the National Energy Research Scientific Computing Center's (NERSC) Perlmutter supercomputer to evaluate the scalability of generating HHL circuits and to measure the time to simulate the generated circuits. Additionally, we provide a comprehensive analysis of the algorithm's performance on various state-of-the-art superconducting and trapped-ion quantum devices, including studies on qubit connectivity, fidelity comparisons, and hardware compatibility and robustness. Our results offer preliminary insights into potential practical applications of the HHL algorithm enabled by LuGo and the performance of various types of quantum hardware.

Lu, Chao [ORNL] (ORCID:0000000179346933)↗
DOE OSTI2025

LuGo: An enhanced quantum phase estimation implementation

Quantum Phase Estimation (QPE) is a cardinal algorithm in quantum computing that plays a crucial role in various applications, including cryptography, molecular simulation, and solving systems of linear equations. However, the standard implementation of QPE faces challenges related to time complexity and circuit depth, which limit its practicality for large-scale computations. We introduce LuGo, a novel framework designed to enhance the performance of QPE by reducing circuit duplication, as well as using parallelization techniques to achieve faster generation of the QPE circuit and gate reduction. We validate the effectiveness of our framework by generating quantum linear solver circuits, which require both QPE and inverse QPE, to solve linear systems of equations. LuGo achieves significant improvements in both computational efficiency and hardware requirements without compromising on accuracy. Compared to a standard QPE implementation, LuGo reduces time consumption to generate a circuit that solves a 2 6 × 2 6 system matrix by a factor of 50.68 and over 31× reduction of quantum gates and circuit depth, with no fidelity loss on an ideal quantum simulator. Furthermore, we demonstrated the versatility and scalability of LuGo enabled HHL algorithm by simulating a canonical Hele-Shaw fluid problem using a quantum simulator. With these advantages, LuGo paves the way for more efficient implementations of QPE, enabling broader applications across several quantum computing domains.

Quantum algorithm↗
DOE OSTI2022

Optimized Quantum Phase Estimation for Simulating Electronic States in Various Energy Regimes

While quantum algorithms for simulation exhibit better asymptotic scaling than their classical counterparts, they currently cannot be implemented on real-world devices. Instead, chemists and computer scientists rely on costly classical simulations of these quantum algorithms. In particular, the quantum phase estimation (QPE) algorithm is among several approaches that have attracted much attention in recent years for its genuine quantum character. However, it is memory-intensive to simulate and intractable for moderate system sizes. Herein, this paper discusses the performance and applicability of QPESIM, a new simulation of the QPE algorithm designed to take advantage of modest computational resources. In particular, we demonstrate the versatility of QPESIM in simulating various electronic states by examining the ground and core-level states of H 2 O. For these states, we also discuss the effect of the active-space size on the quality of the calculated energies. For the high-energy core-level states, we demonstrate that new QPE simulations for active spaces defined by 15 active orbitals significantly reduce the errors in core-level excitation energies compared to earlier QPE simulations using smaller active spaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

State Preparation in Quantum Algorithms for Fragment-Based Quantum Chemistry

State preparation for quantum algorithms is crucial for achieving high accuracy in quantum chemistry and competing with classical algorithms. The localized active space–unitary coupled cluster (LAS–UCC) algorithm iteratively loads a fragment-based multireference wave function onto a quantum computer. Here, in this study, we compare two state preparation methods, quantum phase estimation (QPE) and direct initialization (DI), for each fragment. We test the two state preparation methods on three systems, ranging from a model system, a set of interacting hydrogen molecules, to more realistic chemical problems, like the C–C double bond breaking in transbutadiene and the spin ladder in a bimetallic system. We analyze the impact of QPE parameters, such as the number of ancilla qubits and Trotter steps, on the prepared state. We find a trade-off between the methods, where DI requires fewer resources for smaller fragments, while QPE is more efficient for larger fragments. Our resource estimates highlight the benefits of system fragmentation in state preparation for subsequent quantum chemical calculations. These findings have broad applications for preparing multireference quantum chemical wave functions on quantum circuits that can be used for realistic chemical applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Quantum simulations of excited states with active-space downfolded Hamiltonians

Many-body techniques based on the double unitary coupled cluster ansatz (DUCC) can be used to downfold electronic Hamiltonians into low-dimensional active spaces. It can be shown that the resulting dimensionality reduced Hamiltonians are amenable for quantum computing. Recent studies performed for several benchmark systems using quantum phase estimation (QPE) algorithms demonstrated that these formulations can recover a significant portion of ground-state dynamical correlation effects that stem from the electron excitations outside of the active space. These results have also been confirmed in studies of ground-state potential energy surfaces using quantum simulators. In this letter, we study the effectiveness of the DUCC formalism in describing excited states. We also emphasize the role of the QPE formalism and its stochastic nature in discovering/identifying excited states or excited-state processes in situations when the knowledge about the true configurational structure of a sought after excited state is limited or postulated (due to the specific physics driving excited-state processes of interest). In this context, we can view the QPE algorithm as an engine for verifying various hypotheses for excited-state processes and providing statistically meaningful results that correspond to the electronic state(s) with the largest overlap with a postulated configurational structure. We illustrate these ideas on examples of strongly cor- related molecular systems, characterized by small energy gaps and high density of quasi-degenerate states around the Fermi level.

quantum chemistry, quantum computing, computationa↗
DOE OSTI2022

Fock-Space Schrieffer–Wolff Transformation: Classically-Assisted Rank-Reduced Quantum Phase Estimation Algorithm

We present an extension of many-body downfolding methods to reduce the resources required in the quantum phase estimation (QPE) algorithm. In this paper, we focus on the Schrieffer–Wolff (SW) transformation of the electronic Hamiltonians for molecular systems that provides significant simplifications of quantum circuits for simulations of quantum dynamics. We demonstrate that by employing Fock-space variants of the SW transformation (or rank-reducing similarity transformations (RRST)) one can significantly increase the locality of the qubit-mapped similarity-transformed Hamiltonians. The practical utilization of the SW-RRST formalism is associated with a series of approximations discussed in the manuscript. In particular, amplitudes that define RRST can be evaluated using conventional computers and then encoded on quantum computers. The SW-RRST QPE quantum algorithms can also be viewed as an extension of the standard state-specific coupled-cluster downfolding methods to provide a robust alternative to the traditional QPE algorithms to identify the ground and excited states for systems with various numbers of electrons using the same Fock-space representations of the downfolded Hamiltonian. The RRST formalism serves as a design principle for developing new classes of approximate schemes that reduce the complexity of quantum circuits.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2019

Integrated Multi-Satellite Evaluation for the Global Precipitation Measurement: Impact of Precipitation Types on Spaceborne Precipitation Estimation

Integrated multi-sensor assessment is proposed as a novel approach to advance satellite precipitation validation in order to provide users and algorithm developers with an assessment adequately coping with the varying performances of merged satellite precipitation estimates. Gridded precipitation rates retrieved from space sensors with quasi-global coverage feed numerous applications ranging from water budget studies to forecasting natural hazards caused by extreme events. Characterizing the error structure of satellite precipitation products is recognized as a major issue for the usefulness of these estimates. The Global Precipitation Measurement (GPM) mission aims at unifying precipitation measurements from a constellation of low-earth orbiting (LEO) sensors with various capabilities to detect, classify and quantify precipitation. They are used in combination with geostationary observations to provide gridded precipitation accumulations. The GPM Core Observatory satellite serves as a calibration reference for consistent precipitation retrieval algorithms across the constellation. The propagation of QPE uncertainty from LEO active/passive microwave (PMW) precipitation estimates to gridded QPE is addressed in this study, by focusing on the impact of precipitation typology on QPE from the Level-2 GPM Core Observatory Dual-frequency Precipitation Radar (DPR) to the Microwave Imager (GMI) to Level-3 IMERG precipitation over the Conterminous U.S. A high-resolution surface precipitation used as a consistent reference across scales is derived from the ground radar-based Multi-Radar/Multi-Sensor. While the error structure of the DPR, GMI and subsequent IMERG is complex because of the interaction of various error factors, systematic biases related to precipitation typology are consistently quantified across products. These biases display similar features across Level-2 and Level-3, highlighting the need to better resolve precipitation typology from space and the room for improvement in global-scale precipitation estimates. The integrated analysis and framework proposed herein applies more generally to precipitation estimates from sensors and error sources affecting low-earth orbiting satellites and derived gridded products.

Rainfall↗
NASA NTRS2020

Integrated Multi-satellite Evaluation for the Global Precipitation Measurement: Impact of Precipitation Types on Spaceborne Precipitation Estimation

An integrated multi-sensor assessment is proposed as a novel approach to advance satellite precipitation validation in order to provide users and algorithm developers with an assessment adequately coping with the varying performances of merged satellite precipitation estimates. Gridded precipitation rates retrieved from space sensors with quasi-global coverage feed numerous applications ranging from water budget studies to forecasting natural hazards caused by extreme events. Characterizing the error structure of satellite precipitation products is recognized as a major issue for the usefulness of these estimates. The Global Precipitation Measurement (GPM) mission aims at unifying precipitation measurements from a constellation of low-earth orbiting (LEO) sensors with various capabilities to detect, classify and quantify precipitation. They are used in combination with geostationary observations to provide gridded precipitation accumulations. The GPM Core Obser­vatory satellite serves as a calibration reference for consistent precipitation retrieval algorithms across the constellation. The propagation of QPE uncertainty from LEO active/passive microwave (PMW) precipitation estimates to gridded QPE is addressed in this study, by focusing on the impact of precipitation typology on QPE from the Level-2 GPM Core Observatory Dual-frequency Precipitation Radar (DPR) to the Microwave Imager (GMI) to Level-3 IMERG precipitation over the Conterminous U.S. A high-resolution surface precipitation used as a consistent reference across scales is derived from the ground radar-based Multi-Radar/Multi­Sensor. While the error structure of the DPR, GMI and subsequent IMERG is complex because of the interaction of various error factors, systematic biases related to precipitation typology are consistently quantified across products. These biases display similar features across Level-2 and Level-3, highlighting the need to better resolve precipitation typology from space and the room for improvement in global­scale precipitation estimates. The integrated analysis and framework proposed herein applies more generally to precipitation estimates from sensors and error sources affecting low-earth orbiting satellites and derived gridded products.

Pierre-Emmanuel Kirstette↗
DOE OSTI2021

Toward quantum computing for high-energy excited states in molecular systems: quantum phase estimations of core-level states

This paper explores the utility of the quantum phase estimation (QPE) in calculating high-energy excited states characterized by promotions of electrons occupying inner energy shells. These states have been intensively studied over the last few decades especially in supporting the experimental effort at light sources. Results obtained with the QPE are compared with various high-accuracy many-body techniques developed to describe core-level states. The feasibility of the quantum phase estimator in identifying classes of challenging shake-up states characterized by the presence of higher-order excitation effects is also discussed.

Bauman, Nicholas P.↗
DOE OSTI2020

Short-depth circuits for efficient expectation-value estimation

The evaluation of expectation values Tr[$\rho \mathcal{O}$] for some pure state $\rho$ and Hermitian operator $\mathcal{O}$ is of central importance in a variety of quantum algorithms. Near-optimal techniques have been developed in the past and require a number of measurements N approaching the Heisenberg limit N = O(1/ ε) as a function of target accuracy ε. The use of quantum phase estimation (QPE) requires, however, long circuit depths C = O(1/ ε) making its implementation difficult on near-term noisy devices. The more direct strategy of operator averaging is usually preferred as it can be performed using N = O(1/ε 2 ) measurements and no additional gates aside from those needed for the state preparation. In this work we use a simple but realistic model to describe the bound state of a neutron and a proton (the deuteron) to show that the latter strategy can require an overly large number of measurements in order to achieve a prefixed relative target accuracy ε r . Further, we propose to overcome this problem using a single step of QPE and classical postprocessing. This approach leads to a circuit depth C = O (ε μ ) (with μ ≥ 0) and to a number of measurements N = O (1/ε 2 + ν ) for 0 < ν ≤ 1 and a much smaller prefactor. We provide detailed descriptions of two implementations of our strategy for ν = 1 and ν ≈ 0.5 and derive appropriate conditions that a particular problem instance has to satisfy in order for our method to provide an advantage.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Capturing many-body correlation effects with quantum and classical computing

Theoretical descriptions of excited states of molecular systems in high-energy regimes are crucial for supporting and driving many experimental efforts at light source facilities. However, capturing their complicated correlation effects requires formalisms that provide a hierarchical infrastructure of approximations. These approximations lead to an increased overhead in classical computing methods and, therefore, decisions regarding the ranking of approximations and the quality of results must be made on purely numerical grounds. The emergence of quantum computing methods has the potential to change this situation. Here, in this study, we demonstrate the efficiency of the quantum phase estimator (QPE) in identifying core-level states relevant to x-ray photoelectron spectroscopy. We compare and validate the QPE predictions with exact diagonalization and real-time equation-of-motion coupled-cluster formulations, which are some of the most accurate methods for states dominated by collective correlation effects.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

Reductive quantum phase estimation

Estimating a quantum phase is a necessary task in a wide range of fields of quantum science. To accomplish this task, two well-known methods have been developed in distinct contexts, namely, Ramsey interferometry (RI) in atomic and molecular physics and quantum phase estimation (QPE) in quantum computing. We demonstrate that these canonical examples are instances of a larger class of phase estimation protocols, which we call reductive quantum phase estimation (RQPE) circuits. Here, we present an explicit algorithm that allows one to create an RQPE circuit. This circuit distinguishes an arbitrary set of phases with a smaller number of qubits and unitary applications, thereby solving a general class of quantum hypothesis testing to which RI and QPE belong. We further demonstrate a tradeoff between measurement precision and phase distinguishability, which allows one to tune the circuit to be optimal for a specific application. Published by the American Physical Society 2024

Papadopoulos, Nicholas J. C. (ORCID:00000002635700↗