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NASA NTRS1993

Adaptive data rate control TDMA systems as a rain attenuation compensation technique

Rainfall attenuation has a severe effect on signal strength and impairs communication links for future mobile and personal satellite communications using Ka-band and millimeter wave frequencies. As rain attenuation compensation techniques, several methods such as uplink power control, site diversity, and adaptive control of data rate or forward error correction have been proposed. In this paper, we propose a TDMA system that can compensate rain attenuation by adaptive control of transmission rates. To evaluate the performance of this TDMA terminal, we carried out three types of experiments: experiments using a Japanese CS-3 satellite with Ka-band transponders, in house IF loop-back experiments, and computer simulations. Experimental results show that this TDMA system has advantages over the conventional constant-rate TDMA systems, as resource sharing technique, in both bit error rate and total TDMA burst lengths required for transmitting given information.

Sato, Masaki↗

NASA NTRS2007

Accumulate-Repeat-Accumulate-Accumulate Codes

Accumulate-repeat-accumulate-accumulate (ARAA) codes have been proposed, inspired by the recently proposed accumulate-repeat-accumulate (ARA) codes. These are error-correcting codes suitable for use in a variety of wireless data-communication systems that include noisy channels. ARAA codes can be regarded as serial turbolike codes or as a subclass of low-density parity-check (LDPC) codes, and, like ARA codes they have projected graph or protograph representations; these characteristics make it possible to design high-speed iterative decoders that utilize belief-propagation algorithms. The objective in proposing ARAA codes as a subclass of ARA codes was to enhance the error-floor performance of ARA codes while maintaining simple encoding structures and low maximum variable node degree.

Divsalar, Dariush↗

DOE OSTI2025

Q-Cluster: Quantum Error Mitigation Through Noise-Aware Unsupervised Learning

Quantum error mitigation (QEM) is critical in reducing the impact of noise in the pre-fault-tolerant era, and is expected to complement error correction in fault-tolerant quantum computing (FTQC). In this work, we propose a novel QEM approach, Q-Cluster, that uses unsupervised learning (clustering) to reshape the measured bit-string distribution. Our approach starts with a simplified bit-flip noise model. It first performs clustering on noisy measurement results, i.e., bit-strings, based on the Hamming distance. The centroid of each cluster is calculated using a qubit-wise majority vote. Next, the noisy distribution is adjusted with the clustering outcomes and the bitflip error rates using Bayesian inference. Our simulation results show that Q-Cluster can mitigate high noise rates (up to 40% per qubit) with the simple bit-flip noise model. However, real quantum computers do not fit such a simple noise model. To address the problem, we (a) apply Pauli twirling to tailor the complex noise channels to Pauli errors, and (b) employ a machine learning model, ExtraTrees regressor, to estimate an effective bit-flip error rate using a feature vector consisting of machine calibration data (gate & measurement error rates), circuit features (number of qubits, numbers of different types of gates, etc.) and the shape of the noisy distribution (entropy). Our experimental results show that our proposed Q-Cluster scheme improves the fidelity by a factor of 1.46x, on average, compared to the unmitigated output distribution, for a set of low-entropy benchmarks on five different IBM quantum machines. Our approach outperforms the state-of-art QEM approaches RZNE [28], M3 [24], Hammer [35], and QBEEP [33] by 1.26x,1.29x,1.47x, and 2.65 x, respectively.

42 ENGINEERING↗

DOE OSTI2025

Rapid Commissioning of Large Machine Tools Using Finite Element-Based Correction of Geometric Errors

Large computer numerical control (CNC) machine tools derive their stiffness from monolithic cast iron bases or weldments that are sometimes integral to machine motion systems like box ways or guideways. However, the sheer size of castings and even floor flatness deviations result in dimensional errors in these systems, which manifest as machine motion errors. Typical geometric alignment processes rely on an iterative approach, where measurements are taken to assess alignment (straightness, squareness, and parallelism), followed by adjustment of the machine supports (fixators or leveling pads), which can take weeks even for an experienced operator. Conversely, a novel method is proposed to shorten the correction time by eliminating the trial-and-error process in favor of a more deterministic approach guided by a finite element (FE) method. A feasibility study is conducted on a CNC polymer hybrid machine, with a steel weldment frame, supported by six leveling pads. An FE model of the frame is utilized to obtain recommended leveling pad adjustments, based on measurement of machine errors taken using a laser tracker. After a single adjustment cycle, measurements reveal that geometric errors of the machine tool are reduced from 2.22 mm of flatness deviation to 0.32 mm, achieving an 85.6% reduction. Furthermore, the entire process including measurement, adjustment, and assessment is completed in just 6 h by two operators who are not professional service engineers. In conclusion, this methodology demonstrates feasibility for scaling up, especially to large, high-precision CNC machine tools with bases mounted by fixators, offering the capability for bidirectional adjustment.

42 ENGINEERING↗

DOE OSTI2026

Multitarget Rydberg gates via spatial blockade engineering

Multi-target gates offer the potential to reduce gate depth in syndrome extraction for quantum error correction. Although neutral-atom quantum computers have demonstrated native multi-qubit gates, existing approaches that avoid additional control or multiple atomic species have been limited to single-target gates. We propose single-control-multi-target CZ^n gates on a single-species neutral-atom platform that require no extra control and have gate durations comparable to standard CZ gates. Our approach leverages tailored interatomic distances to create an asymmetric blockade between the control and target atoms. Using a GPU-accelerated pulse synthesis protocol, we design smooth control pulses for CZZ and CZZZ gates, achieving fidelities of up to 99.55% and $99.24\%$, respectively, even in the presence of simulated atom placement errors and Rydberg-state decay. Our approach is most effective for N=2 (CZZ) and N=3 targets (CZZZ); for larger N, increasing spatial crowding of the targets introduces significant challenges for maintaining the required blockade asymmetry. This work presents a practical path to implementing low-overhead multi-target gates in single-species neutral-atom systems, significantly reducing the resource overhead for syndrome extraction. To motivate the impact of these gates, we apply a greedy scheduling algorithm and we demonstrate that our proposed gates can reduce the number of atom reconfiguration costs by up to 50% for color code syndrome extraction of code distances greater than 5.

Stein, Samuel A.↗

DOE OSTI2025

Noisy quantum trees: infinite protection without correction

We study quantum networks with tree structures, in which information propagates from a root to leaves. At each node in the network, the received qubit unitarily interacts with fresh ancilla qubits, after which each qubit is sent through a noisy channel to a different node in the next level. Therefore, as the tree depth grows, there is a competition between the irreversible effect of noise and the protection against such noise achieved by the delocalization of information. In the classical setting, where each node simply copies the input bit into multiple output bits, this model has been studied as the broadcasting or reconstruction problem on trees, which has broad applications. In this work, we study the quantum version of this problem. We consider a Clifford encoder at each node that encodes the input qubit in a stabilizer code, along with a single qubit Pauli noise channel at each edge. Such noisy quantum trees describe a scenario in which one has access to a stream of fresh (low-entropy) ancilla qubits, but cannot perform error correction. Therefore, they provide a different perspective on quantum fault tolerance. Furthermore, they provide a useful model for describing the effect of noise within the encoders of concatenated codes. We prove that above certain noise thresholds, which depend on the properties of the code such as its distance, as well as the properties of the encoder, information decays exponentially with the depth of the tree. On the other hand, by studying certain efficient decoders, we prove that for codes with distance d ≥ 2 and for sufficiently small (but non-zero) noise, classical information and entanglement propagate over a noisy tree with infinite depth. Indeed, we find that this remains true even for binary trees with certain 2-qubit encoders at each node, which encodes the received qubit in the binary repetition code with distance d = 1.

Quantum information↗

NASA NTRS2011

Soft-Decision-Data Reshuffle to Mitigate Pulsed Radio Frequency Interference Impact on Low-Density-Parity-Check Code Performance

This presentation briefly discusses a research effort on mitigation techniques of pulsed radio frequency interference (RFI) on a Low-Density-Parity-Check (LDPC) code. This problem is of considerable interest in the context of providing reliable communications to the space vehicle which might suffer severe degradation due to pulsed RFI sources such as large radars. The LDPC code is one of modern forward-error-correction (FEC) codes which have the decoding performance to approach the Shannon Limit. The LDPC code studied here is the AR4JA (2048, 1024) code recommended by the Consultative Committee for Space Data Systems (CCSDS) and it has been chosen for some spacecraft design. Even though this code is designed as a powerful FEC code in the additive white Gaussian noise channel, simulation data and test results show that the performance of this LDPC decoder is severely degraded when exposed to the pulsed RFI specified in the spacecraft s transponder specifications. An analysis work (through modeling and simulation) has been conducted to evaluate the impact of the pulsed RFI and a few implemental techniques have been investigated to mitigate the pulsed RFI impact by reshuffling the soft-decision-data available at the input of the LDPC decoder. The simulation results show that the LDPC decoding performance of codeword error rate (CWER) under pulsed RFI can be improved up to four orders of magnitude through a simple soft-decision-data reshuffle scheme. This study reveals that an error floor of LDPC decoding performance appears around CWER=1E-4 when the proposed technique is applied to mitigate the pulsed RFI impact. The mechanism causing this error floor remains unknown, further investigation is necessary.

Ni, Jianjun David↗

NASA NTRS2009

Guaranteeing Failsafe Operation of Extended-Scene Shack-Hartmann Wavefront Sensor Algorithm

A Shack-Hartmann sensor (SHS) is an optical instrument consisting of a lenslet array and a camera. It is widely used for wavefront sensing in optical testing and astronomical adaptive optics. The camera is placed at the focal point of the lenslet array and points at a star or any other point source. The image captured is an array of spot images. When the wavefront error at the lenslet array changes, the position of each spot measurably shifts from its original position. Determining the shifts of the spot images from their reference points shows the extent of the wavefront error. An adaptive cross-correlation (ACC) algorithm has been developed to use scenes as well as point sources for wavefront error detection. Qualifying an extended scene image is often not an easy task due to changing conditions in scene content, illumination level, background, Poisson noise, read-out noise, dark current, sampling format, and field of view. The proposed new technique based on ACC algorithm analyzes the effects of these conditions on the performance of the ACC algorithm and determines the viability of an extended scene image. If it is viable, then it can be used for error correction; if it is not, the image fails and will not be further processed. By potentially testing for a wide variety of conditions, the algorithm s accuracy can be virtually guaranteed. In a typical application, the ACC algorithm finds image shifts of more than 500 Shack-Hartmann camera sub-images relative to a reference sub -image or cell when performing one wavefront sensing iteration. In the proposed new technique, a pair of test and reference cells is selected from the same frame, preferably from two well-separated locations. The test cell is shifted by an integer number of pixels, say, for example, from m= -5 to 5 along the x-direction by choosing a different area on the same sub-image, and the shifts are estimated using the ACC algorithm. The same is done in the y-direction. If the resulting shift estimate errors are less than a pre-determined threshold (e.g., 0.03 pixel), the image is accepted. Otherwise, it is rejected.

Sidick, Erikin↗

NASA NTRS2000

On The Computational Capabilities of Physical Systems: Relationship With Conventional Computer Science - Part 2

In the first of this pair of papers, it was proven that there cannot be a physical computer to which one can properly pose any and all computational tasks concerning the physical universe. It was then further proven that no physical computer C can correctly carry out all computational tasks that can be posed to C. As a particular example, this result means that no physical computer that can, for any physical system external to that computer, take the specification of that external system's state as input and then correctly predict its future state before that future state actually occurs; one cannot build a physical computer that can be assured of correctly "processing information faster than the universe does". These results do not rely on systems that are infinite, and/or non-classical, and/or obey chaotic dynamics. They also hold even if one uses an infinitely fast, infinitely dense computer, with computational powers greater than that of a Turing Machine. This generality is a direct consequence of the fact that a novel definition of computation - "physical computation" - is needed to address the issues considered in these papers, which concern real physical computers. While this novel definition does not fit into the traditional Chomsky hierarchy, the mathematical structure and impossibility results associated with it have parallels in the mathematics of the Chomsky hierarchy. This second paper of the pair presents a preliminary exploration of some of this mathematical structure. Analogues of Chomskian results concerning universal Turing Machines and the Halting theorem are derived, as are results concerning the (im)possibility of certain kinds of error-correcting codes. In addition, an analogue of algorithmic information complexity, "prediction complexity", is elaborated. A task-independent bound is derived on how much the prediction complexity of a computational task can differ for two different reference universal physical computers used to solve that task, a bound similar to the "encoding" bound governing how much the algorithm information complexity of a Turing machine calculation can differ for two reference universal Turing machines. Finally, it is proven that either the Hamiltonian of our universe proscribes a certain type of computation, or prediction complexity is unique (unlike algorithmic information complexity), in that there is one and only version of it that can be applicable throughout our universe.

Wolpert, David H.↗

NASA NTRSDate not supplied

Examination of L-Band Brightness Temperature Forecasts in the SMAP Level-4 Soil Moisture Analysis

The NASA Soil Moisture Active Passive (SMAP) mission [4] has been providing L-band (1.4 GHz) passive microwave brightness temperature (Tb) observations since April 2015. By assimilating the Tb observations into the NASA Catchment land surface model [5] using a spatially distributed ensemble Kalman filter, the NASA Global Modeling and Assimilation Office generates the SMAP Level-4 Soil Moisture (L4_SM) product, which provides global, 3-hourly, 9-km resolution estimates of surface (0-5 cm) and root-zone (0-100 cm) soil moisture with ~2.5-day latency for use in research and applications [6]. The L4_SM product also includes estimates of soil temperature, land surface fluxes, and assimilation diagnostics such as the model forecast and observed Tb values [7]. The output from the L4_SM system is routinely monitored by the L4_SM team. Such monitoring provides valuable information; instances of unusually large Tb observation-minus-forecast (O-F) residuals can indicate events during which soil moisture conditions are poorly described in the land modeling system [7,8]. For example, repeated occurrences of very large Tb O-F values in central Australia were traced back to deficiencies in the gauge-based precipitation product used in the land modeling system through L4_SM Version 5; this discovery prompted the use, beginning in Version 6, of satellite- and gauge-based precipitation observations outside of North America [9]. Recently, a statistical analysis of the Tb O-F residuals revealed systematic errors in the “tau-omega” L-band radiative transfer model that converts the land-model simulated soil moisture and temperature into the forecast Tb prior to the L4_SM analysis. The L4_SM analysis is built on the ensemble Kalman filter and assumes unbiased forecast errors. The presence of systematic Tb forecast errors could thus adversely impact the quality of the analyzed soil moisture. In this paper, we examine the Tb O-F residuals of the latest Version 7 L4_SM data (Science Version ID Vv7030 and Vv7032) [10,11,12]. In the L4_SM Version 7 algorithm, key parameters of the L-band radiative transfer model, including soil roughness, scattering albedo, and a (seasonally varying) climatology of vegetation opacity, are obtained from the SMAP Level-2 Radiometer retrieval product (Version 5) [1]. Additionally, we also use ground measurements of surface soil moisture and soil temperature from the SMAP core validation sites as in situ reference of soil conditions [2,3]. As part of the L4_SM system calibration, the seasonally-varying bias between the model forecast Tb and the observed values is removed prior to the assimilation of the SMAP Tb observations [7]. That is, the L4_SM system is designed to only correct errors in synoptic-scale and interannual variations from the long-term mean seasonal cycle while maintaining the model’s (potentially erroneous) climatology. The Tb O-F residuals examined here are thus computed using SMAP Tb observations after they are rescaled to the mean seasonal cycle of Tb from the modeling system without SMAP data assimilation. Consequently, the long-term average of the Tb O-F residuals has a global mean of only 0.13 K and locally small values, ranging from -1 to 3 K. Despite the small time-average values of the Tb O-F residuals, the model forecast Tb was nevertheless found to exhibit undesirable systematic errors. At some locations, the time-average Tb O-F values strongly depend on surface soil moisture (SM). At the Yanco SMAP core validation site, for example, the Tb O-F residuals typically range from 5 to 15 K under dry soil moisture conditions (SM < 0.15 m3 m-3) yet are predominantly negative under wet soil moisture conditions (SM > 0.25 m3 m-3), with values ranging from 0 to -40 K. This results in soil moisture analysis increments that persistently make the soil drier under dry SM conditions and persistently make the soil wetter under wet SM conditions, suggesting an error in the dynamic range of the simulated Tb, soil moisture or soil temperature. In this paper, we describe the higher-order systematic Tb forecast errors in more detail, examine their impact on the L4_SM product quality, and explore potential avenues to further improve the L4_SM algorithm.

Rolf Reichle↗

DOE OSTI2026

A cryogenic muon tagging system based on kinetic inductance detectors for superconducting quantum processors

Ionizing radiation has emerged as a potential limiting factor for superconducting quantum processors, inducing quasiparticle bursts and correlated errors that challenge fault-tolerant operation. Atmospheric muons are particularly problematic due to their high energy and penetration power, making passive shielding ineffective. Therefore, monitoring the real-time muon flux is crucial to guide the development of alternative error-correction or mitigation strategies. We present the design, simulation, and first operation of a cryogenic muon-tagging system based on kinetic inductance detectors (KIDs), developed as a stand-alone cryogenic particle-tagging module for superconducting quantum processors. The system consists of two KIDs arranged in a vertical stack and operated at ∼20 mK. Monte Carlo simulations based on Geant4 guided the prototype design and provided reference expectations for muon-tagging efficiency and accidental coincidences due to ambient γ-rays. We observed a muon-induced coincidence rate among the top and bottom detectors of (192 ± 9) $\times\,10^{-3}$ events s$^{−1}$, in excellent agreement with the Monte Carlo prediction. The prototype achieves a muon-tagging efficiency of about 90% with negligible dead time. These results demonstrate the feasibility of operating a muon-tagging system at millikelvin temperatures and represent a key step toward the integration of cryogenic veto systems with multi-qubit chips to mitigate muon-induced errors.

Mariani, Ambra [INFN, Rome] (ORCID:000000028184857↗

NASA NTRS2005

A Posteriori Correction of Forecast and Observation Error Variances

Proposed method of total observation and forecast error variance correction is based on the assumption about normal distribution of "observed-minus-forecast" residuals (O-F), where O is an observed value and F is usually a short-term model forecast. This assumption can be accepted for several types of observations (except humidity) which are not grossly in error. Degree of nearness to normal distribution can be estimated by the symmetry or skewness (luck of symmetry) a(sub 3) = mu(sub 3)/sigma(sup 3) and kurtosis a(sub 4) = mu(sub 4)/sigma(sup 4) - 3 Here mu(sub i) = i-order moment, sigma is a standard deviation. It is well known that for normal distribution a(sub 3) = a(sub 4) = 0.

Rukhovets, Leonid↗

DOE OSTI2024

Relational bulk reconstruction from modular flow

Abstract The entanglement wedge reconstruction paradigm in AdS/CFT states that for a bulk qudit within the entanglement wedge of a boundary subregion$$ \overline{A} $$ A ¯ , operators acting on the bulk qudit can be reconstructed as CFT operators on$$ \overline{A} $$ A ¯ . This naturally fits within the framework of quantum error correction, with the CFT states containing the bulk qudit forming a code protected against the erasure of the boundary subregionA. In this paper, we set up and study a framework for relational bulk reconstruction in holography: given two code subspaces both protected against erasure of the boundary regionA, the goal is to relate the operator reconstructions between the two spaces. To accomplish this, we assume that the two code subspaces are smoothly connected by a one-parameter family of codes all protected against the erasure ofA, and that the maximally-entangled states on these codes are all full-rank. We argue that such code subspaces can naturally be constructed in holography in a “measurement-based” setting. In this setting, we derive a flow equation for the operator reconstruction of a fixed code subspace operator using modular theory which can, in principle, be integrated to relate the reconstructed operators all along the flow. We observe a striking resemblance between our formulas for relational bulk reconstruction and the infinite-time limit of Connes cocycle flow, and take some steps towards making this connection more rigorous. We also provide alternative derivations of our reconstruction formulas in terms of a canonical reconstruction map we call the modular reflection operator.

Physics↗

DOE OSTI2024

Security of quantum position-verification limits Hamiltonian simulation via holography

We investigate the link between quantum position-verification (QPV) and holography established in [1] using holographic quantum error correcting codes as toy models. By inserting the “temporal” scaling of the AdS metric by hand via the bulk Hamiltonian interaction strength, we recover a toy model with consistent causality structure. This leads to an interesting implication between two topics in quantum information: if position-based verification is secure against attacks with small entanglement then there are new fundamental lower bounds for resources required for one Hamiltonian to simulate another.

AdS-CFT Correspondence↗

DOE OSTI2025

Changes to virus taxonomy, the international code of virus classification and nomenclature, and the ICTV statutes ratified by the International Committee on Taxonomy of Viruses (2025)

Abstract The 56th meeting of the Executive Committee (EC) of the International Committee on Taxonomy of Viruses (ICTV) was held in Bari, Italy, in July/August, 2024, and 115 submitted taxonomy proposals were reviewed. A total of 112 were subsequently ratified by the ICTV membership. An additional 9 error correction proposals were also approved in August 2025. This article lists the taxonomy proposals that have now been incorporated into release 40 version v2 of the Master Species List ( https://ictv.global/msl ), the Virus Metadata Resource ( https://ictv.global/vmr ), and associated ICTV databases. In addition to the assignments of 1,563 new virus species, 243genera, 55 families, 11 orders, and 8 classes, there were substantial additions to higher taxonomic ranks. These include the creation of a new realm ( Singelaviria ), which is based on the recognition of a separate evolutionary origin for the hallmark capsid genes of members of the kingdom Helvetiavirae. These express capsid proteins forming a single jelly-roll fold that is structurally and evolutionarily distinct from those of members of the family Bamfordvirae , assigned to the realm Varidnaviria . Furthermore, the realm Varidnaviria underwent a major reorganization, including the addition of a new kingdom, Abadenavirae . Another notable change was the classification of the vertebrate-infecting single-stranded DNA anellovirids into a new phylum Commensaviricota (kingdom Shotokuvirae , realm Monodnaviria ). Archaeal viruses infecting the hyperthermophilic Archaeoglobi were assigned to a new phylum Calorviricota , in the kingdom Trapavirae (realm Monodnaviria ), whereas RNA viruses infecting hyperthermophilic bacteria were classified into a new phylum Artimaviricota (realm Riboviria ). In recognition of his extensive and valuable contributions to virus taxonomic developments in Study Groups and over the period of his EC membership, Stuart Siddell was honoured as a new life member of the ICTV. The ICTV has created a new strategy for disseminating information on taxonomy advances through annual open-access publication of citeable taxonomy proposal summaries from each ICTV Subcommittee. A collective total of 354 co-authors of the seven summaries were drawn from members of each Subcommittee, the EC, and a very large number of contributors from the wider virology community.

Simmonds, Peter (ORCID:0000000279644700)↗

DOE OSTI2026

Causality-respecting adaptive refinement for PINNs: enabling precise interface evolution in phase field modeling

Physics-informed neural networks (PINNs) have emerged as a powerful tool for solving physical systems described by partial differential equations (PDEs). However, their accuracy in dynamical systems, particularly those involving sharp moving boundaries with complex initial morphologies, remains a challenge. Here, this study introduces an approach combining residual-based adaptive refinement (RBAR) with causality-informed training to enhance the performance of PINNs in solving spatio-temporal PDEs. Our method employs a three-step iterative process: initial causality-based training, RBAR-guided domain refinement, and subsequent causality training on the refined mesh. Applied to the Allen-Cahn equation, a widely-used model in phase field simulations, our approach demonstrates significant improvements in solution accuracy and computational efficiency over traditional PINNs. Notably, we observe an ‘overshoot and relocate’ phenomenon in dynamic cases with complex morphologies, showcasing the method’s adaptive error correction capabilities. This synergistic interaction between RBAR and causality training enables accurate capture of interface evolution, even in challenging scenarios where traditional PINNs fail. Our framework not only resolves the limitations of uniform refinement strategies but also provides a generalizable methodology for solving a broad range of spatio-temporal PDEs. The enhanced performance of the RBAR–causality combined framework demonstrates its strong potential for advancing PINN-based modeling of physical systems characterized by complex, evolving interfaces.

Allen-Cahn equations↗

DOE OSTI2026

The role of quantum computing in advancing scientific high-performance computing: A perspective from the ADAC institute

Quantum computing (QC) has gained significant attention over the past two decades due to its potential for speeding up classically demanding tasks. This transition from an academic focus to a thriving commercial sector is reflected in substantial global investments. While advancements in qubit counts and functionalities continue at a rapid pace, current quantum systems still lack the scalability for practical applications, facing challenges such as too high error rates and limited coherence times. Here, this perspective paper examines the relationship between QC and high-performance computing (HPC), highlighting their complementary roles in enhancing computational efficiency. It is widely acknowledged that even fully error-corrected QC will not be suited for all computational tasks. Rather, future compute infrastructures are anticipated to employ quantum acceleration within hybrid systems that integrate HPC and QC. While QC can enhance classical computing, traditional HPC remains essential for maximizing quantum acceleration. This integration is a priority for supercomputing centers and companies, sparking innovation to address the challenges of merging these technologies. The novelty of this work lies in its unique perspective, reflecting the collective insights of the Accelerated Data Analytics and Computing (ADAC) Institute, a global consortium of over 20 leading HPC centers. Recognizing the growing importance of QC, ADAC established a Quantum Computing Working Group in 2023 to foster collaboration and knowledge-sharing among its members. This paper synthesizes insights from the group’s collaborative efforts and incorporates findings from a member survey that captures shared experiences, ongoing projects, and strategic directions. By outlining the current landscape and challenges of QC integration into HPC ecosystems, this work offers HPC specialists practical and forward-looking guidance on the opportunities and implications of QC in computationally intensive endeavors.

Accelerated Data Analytics and↗

DOE OSTI2025

Determining the Ensemble N -Representability of Reduced Density Matrices

The N-representability problem for reduced density matrices remains a fundamental challenge in electronic structure theory. Following our previous work that employs a unitary-evolution algorithm based on an adaptive derivative-assembled pseudo-Trotter variational quantum algorithm to probe pure-state N-representability of reduced density matrices [J. Chem. Theory Comput. 2024, 20, 9968], in this work we propose a practical framework for determining the ensemble N-representability of a p-body matrix. This is accomplished using a purification strategy that embeds an ensemble state into a pure state defined on an extended Hilbert space, such that the reduced density matrices of the purified state reproduce those of the original ensemble. By iteratively applying variational unitaries to an initial purified state, the proposed algorithm minimizes the Hilbert-Schmidt distance between its p-body reduced density matrix and a specified target p-body matrix, which serves as a measure of the N-representability of the target. This methodology facilitates both error correction of defective ensemble reduced density matrices and quantum-state reconstruction on a quantum computer, offering a route for density-matrix refinement. We validate the algorithm with numerical simulations on systems of two, three, and four electrons in both simple models as well as molecular systems at finite temperature, demonstrating its robustness.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗