Codesign for Extreme Heterogeneity: Integrating Custom Hardware With Commodity Computing Technology to Support Next-Generation HPC Converged Workloads
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97 MATHEMATICS AND COMPUTING↗
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Results for “Heterogeneous (hybrid) 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.
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Hybrid Bioenergy and Hydropower Systems: Leveraging Heterogeneous Biomass and Wastes from Watersheds
Sandia National Laboratories and INL explore the water-for-energy nexus in this white paper, focusing on the impact of heterogeneous watershed waste materials on hydropower facilities. They identify key challenges—such as wildfires, and debris intercepted at water intakes—that adversely affect both watershed health and hydropower operations. More importantly, SNL and INL highlight opportunities to valorize these bioresources and waste materials by converting them into usable energy.
09 BIOMASS FUELS↗
Direct-bonded diamond membranes for heterogeneous quantum and electronic technologies
Diamond has superlative material properties for a broad range of quantum and electronic technologies. However, heteroepitaxial growth of single crystal diamond remains limited, impeding integration and evolution of diamond-based technologies. Here, we directly bond single-crystal diamond membranes to a wide variety of materials including silicon, fused silica, sapphire, thermal oxide, and lithium niobate. Our bonding process combines customized membrane synthesis, transfer, and dry surface functionalization, allowing for minimal contamination while providing pathways for near unity yield and scalability. We generate bonded crystalline membranes with thickness as low as 10 nm, sub-nm interfacial regions, and nanometer-scale thickness variability over 200 by 200 μm 2 areas. We measure spin coherence times T 2 for nitrogen vacancy centers in 150 nm-thick bonded membranes of up to 623 ± 21 μs, suitable for advanced quantum applications. We demonstrate multiple methods for integrating high quality factor nanophotonic cavities with the diamond heterostructures, highlighting the platform versatility in quantum photonic applications. Furthermore, we show that our ultra-thin diamond membranes are compatible with total internal reflection fluorescence (TIRF) microscopy, which enables interfacing coherent diamond quantum sensors with living cells while rejecting unwanted background luminescence. The processes demonstrated herein provide a full toolkit to synthesize heterogeneous diamond-based hybrid systems for quantum and electronic technologies.
color center↗
Nonempirical Range-Separated Hybrid Functional with Spatially Dependent Screened Exchange
Electronic structure calculations based on density functional theory (DFT) have successfully predicted numerous ground-state properties of a variety of molecules and materials. However, exchange and correlation functionals currently used in the literature, including semilocal and hybrid functionals, are often inaccurate to describe the electronic properties of heterogeneous solids, especially systems composed of building blocks with large dielectric mismatch. Here, in this study, we present a dielectric-dependent range-separated hybrid functional, screened-exchange range-separated hybrid (SE-RSH), for the investigation of heterogeneous materials. We define a spatially dependent fraction of exact exchange inspired by the static Coulomb-hole and screened-exchange (COHSEX) approximation used in many-body perturbation theory, and we show that the proposed functional accurately predicts the electronic structure of several nonmetallic interfaces, three- and two-dimensional, pristine, and defective solids and nanoparticles.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Fidelity Comparison of Time-Bin and Fock State Encoding in Hybrid Quantum Systems Under Channel and Transduction Effects
Future quantum networks are expected to integrate a heterogeneous combination of quantum systems, owing to the diverse advantages offered by different physical platforms in terms of scalability, coherence times, and interfacing capabilities. Within the context of this emerging quantum communication paradigm, this paper presents an analytical comparison of two photonic encoding schemes—time-bin and Fock state (single rail)—in hybrid quantum systems where flying qubits are entangled with stationary matter qubits. We evaluate their resilience against fiber channel and quantum transduction effects by calculating the fidelity of the final states relative to their ideal forms. Employing the characteristic function approach, we derive analytical fidelity expressions and investigate their dependence on parameters such as transmissivity, noise levels, fiber length, and source generation success probability. Additionally, we simulate the scenario with a dedicated QuTiP software implementation to verify the validity of the theoretical models. Our findings reveal that due to its inherent single-mode structure, the Fock state encoding consistently outperforms time-bin encoding in fidelity, as this structure significantly minimizes susceptibility to losses compared to the two-mode nature of the time-bin scheme. This analysis offers valuable insights for future hybrid quantum communication and information processing applications.
Fiorini, Francesco [Pisa U.]↗
Q-IRIS: The Evolution of the IRIS Task-Based Runtime to Enable Classical-Quantum Workflows
Extreme heterogeneity in emerging HPC systems are starting to include quantum accelerators, motivating runtimes that can coordinate between classical and quantum workloads. We present a proof-of-concept hybrid execution framework integrating the IRIS asynchronous task-based runtime with the XACC quantum programming framework via the Quantum Intermediate Representation Execution Engine (QIR-EE). IRIS orchestrates multiple programs written in the quantum intermediate representation (QIR) across heterogeneous backends (including multiple quantum simulators), enabling concurrent execution of classical and quantum tasks. Although not a performance study, we report measurable outcomes through the successful asynchronous scheduling and execution of multiple quantum workloads. To illustrate practical runtime implications, we decompose a four-qubit circuit into smaller subcircuits through a process known as quantum circuit cutting, reducing per-task quantum simulation load and demonstrating how task granularity can improve simulator throughput and reduce queueing behavior -- effects directly relevant to early quantum hardware environments. We conclude by outlining key challenges for scaling hybrid runtimes, including coordinated scheduling, classical-quantum interaction management, and support for diverse backend resources in heterogeneous systems.
Miniskar, Narasinga Rao [ORNL] (ORCID:000000018259↗
On-PIC Light Source Integration & Micro-dispensing of Solder Paste for Flip Chip Application
To reach the next level benefits of photonic integrated circuits (PICs), the Integrated Photonic Systems Roadmap-International describes the necessity of either heterogeneous or hybrid integration of light sources [1]. A new approach for hybrid integration is Photonic Wire Bonding where 3D nanolithography is used to pattern a polymer waveguide that connects light sources to PIC waveguides. The waveguides resemble electrical wire bonds and essentially do the same as their electrical counterpart for packaging photonic chips together. In order to reap the full benefits of a photonic wire bonds, the light source must be carefully packaged. In this work I seek to expand RIT’s photonic packaging capability by establishing a packaging process to integrate light sources, specifically an Indium Phosphide distributed feedback lasers and a reflective semiconductor optical amplifiers, directly onto a photonic integrated circuits. Another necessary requirement for PIC packaging is densely integrated electrical connectivity. In this thesis I developed a fine pitch flip chip interconnect technique demonstrated using gold stud bumps in conjunction with micro-dispensed solder paste. This work opens the door to high density photonic flip chip applications. The micro-dispensed solder paste dots having diameters 50-125 µm are currently being tested at a pitch of 150 µm . The gold stud bumps are formed with 1mil gold wire creating bumps with a diameter of 40-60 µm depending on specific parameter values. These capabilities will allow RIT to assemble and test novel photonic integrated devices, cutting down on the time and cost associated with third party assembly and tests facilities. Thereby keeping RIT at the forefront of photonic research.
Wongk, Nicole↗
Mean-field limit of a hybrid system for multi-lane car-truck traffic
In the present work we model multi-lane traffic flow in presence of two population of vehicles: cars and trucks. We first develop a finite-dimensional hybrid system which rely on continuous Bando-Follow-the-Leader dynamics coupled with discrete events motivated by the lane-change maneuvers. Then we rigorously prove that the mean-field limit is given by a system of Vlasov-type PDE with source terms generated by the lane-change maneuvers of the human-driven vehicles.
32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
Characterization of Gramicidin A in Triblock and Diblock Polymersomes and Hybrid Vesicles via Continuous Wave Electron Paramagnetic Resonance Spectroscopy
Studying membrane proteins in a native environment is crucial to understanding their structural and/or functional studies. Often, widely accepted mimetic systems have limitations that prevent the study of some membrane proteins. Micelles, bicelles, and liposomes are common biomimetic systems but have problems with membrane compatibility, limited lipid composition, and heterogeneity. To overcome these limitations, polymersomes and hybrid vesicles have become popular alternatives. Polymersomes form from amphiphilic triblock or diblock copolymers and are considered more robust than liposomes. Hybrid vesicles are a combination of lipids and block copolymers that form vesicles composed of a mixture of the two. These hybrid vesicles are appealing because they have the native lipid environment of bilayers but also the stability and customizability of polymersomes. Gramicidin A was incorporated into these polymersomes and characterized using continuous wave electron paramagnetic resonance (CW-EPR) and transmission electron microscopy (TEM). EPR spectroscopy is a powerful biophysical technique used to study the structure and dynamic properties of membrane proteins in their native environment. Spectroscopic studies of gramicidin A have been limited to liposomes; in this study, the membrane peptide is studied in both polymersomes and hybrid vesicles using CW-EPR spectroscopy. Lineshape analysis of spin-labeled gramicidin A revealed linewidth broadening, suggesting that the thicker polymersome membranes restrict the motion of the spin label more when compared to liposome membranes. Statement of Significance: Understanding membrane proteins’ structures and functions is critical in the study of many diseases. In order to study them in a native environment, membrane mimetics must be developed that can be suitable for obtaining superior biophysical data quality to characterize structural dynamics while maintaining their native functions and structures. Many currently widely accepted methods have limitations, such as a loss of native structure and function, heterogeneous vesicle formation, restricted lipid types for the vesicle formation for many proteins, and experimental artifacts, which leaves rooms for the development of new biomembrane mimetics. The triblock and diblock polymersomes and hybrid versicles utilized in this study may overcome these limitations and provide the stability and customizability of polymersomes, keeping the biocompatibility and functionality of liposomes for EPR studies of membrane proteins.
59 BASIC BIOLOGICAL SCIENCES↗
Weak-form inference for hybrid dynamical systems in ecology
Species subject to predation and environmental threats commonly exhibit variable periods of population boom and bust over long timescales. Understanding and predicting such behaviour, especially given the inherent heterogeneity and stochasticity of exogenous driving factors over short timescales, is an ongoing challenge. A modelling paradigm gaining popularity in the ecological sciences for such multi-scale effects is to couple short-term continuous dynamics to long-term discrete updates. We develop a data-driven method utilizing weak-form equation learning to extract such hybrid governing equations for population dynamics and to estimate the requisite parameters using sparse intermittent measurements of the discrete and continuous variables. The method produces a set of short-term continuous dynamical system equations parametrized by long-term variables, and long-term discrete equations parametrized by short-term variables, allowing direct assessment of interdependencies between the two timescales. We demonstrate the utility of the method on a variety of ecological scenarios and provide extensive tests using models previously derived for epizootics experienced by the North American spongy moth ( Lymantria dispar dispar ).
54 ENVIRONMENTAL SCIENCES↗
Hybrid Quantum Networks with Discrete Polarizations and Continuous Quadrature Variables
Final Scientific/Technical Report for DOE Project DE-SC0022069. Quantum communication and computation systems have evolved along two largely independent paradigms: discrete-variable (DV) systems that encode information in qubits such as photon polarizations or photon-number states, and continuous-variable (CV) systems that encode information in optical field quadratures. Each approach offers distinct advantages—DVs provide low error rates and compatibility with single-photon platforms, while CVs support deterministic operations and efficient quantum state manipulation. A fundamental challenge for building a scalable Quantum Internet lies in interfacing these two regimes into a unified hybrid architecture that can coherently distribute and process quantum information across heterogeneous quantum nodes. This project aims to develop and demonstrate a hybrid optical quantum network that seamlessly integrates DV and CV systems. Specifically, we investigate a new class of hybrid entanglement between the discrete polarizations of single photons and the continuous quadrature variables of optical cat states, overcoming incompatibilities in existing DV–CV demonstrations. Using this new entanglement resource, the team investigates a multi-node hybrid quantum local area network (Q-LAN) testbed capable of DV–CV entanglement generation, swapping, and distribution across fiber links.
74 ATOMIC AND MOLECULAR PHYSICS↗
ARJUNA: An Electrochemical Interface Mapping Probe for Solid-State Batteries
Solid-state batteries (SSBs) are promising candidates for next-generation energy storage, although their performance can be compromised by interfacial heterogeneity within the electrolyte. Furthermore, ensuring the quality of large form-factors electrolyte film is crucial for establishing a robust manufacturing platform for solid-state batteries. Herein, we report on the use of ARJUNA, an electrochemical interface mapping system, to characterize heterogeneities at solid electrolyte interfaces and to serve as a quality control system for SSB manufacturing. In addition to spatial mapping, the proposed system can also probe the interface behavior as a function of pressure and temperature. We present the operating principle, design, instrumentation, and evaluation of the system alongside a typical hybrid solid electrolyte produced using two common manufacturing processes. This report showcases the capability of ARJUNA to probe the heterogeneity and quality of processed solid electrolyte films.
25 ENERGY STORAGE↗
Integrating and Characterizing HPC Task Runtime Systems for hybrid AI-HPC workloads
Scientific workflows increasingly involve both HPC and machine-learning tasks, combining MPI-based simulations, training, and inference in a single execution. Launchers such as Slurm’s srun constrain concurrency and throughput, making them unsuitable for dynamic and heterogeneous workloads. We present a performance study of RADICAL-Pilot (RP) integrated with Flux and Dragon, two complementary runtime systems that enable hierarchical resource management and high-throughput function execution. Using synthetic and production-scale workloads on Frontier, we characterize the task execution properties of RP across runtime configurations. RP+Flux sustains up to 930 tasks/s, and RP+Flux+Dragon exceeds 1,500 tasks/s with over 99.6% utilization. In contrast, srun peaks at 152 tasks/s and degrades with scale, with utilization below 50%. For IMPECCABLE.v2 drug discovery campaign, RP+Flux reduces makespan by 30–60% relative to srun/Slurm and increases throughput more than four times on up to 1,024. These results demonstrate hybrid runtime integration in RP as a scalable approach for hybrid AI-HPC workloads.
HPC-AI↗
Using earth abundant materials for long duration energy storage: electro-chemical and thermo-chemical cycling of bicarbonate/formate
Using hydrogen to store energy in chemical bonds is a key component of the global strategy to achieving a sustainable future and ameliorating climate change. The challenges associated with handling molecular hydrogen can be solved by using liquid hydrogen carriers. In this perspective, we discuss the concept of bicarbonate–formate cycle, where aqueous solutions of formate ions (HCO 2 – ) are used as hydrogen and energy carriers. Such solutions are composed by earth abundant elements and, in contrast to common liquid organic carriers, are non-flammable, and readily convert to the oxide forms (HCO 3 – ) under reaction with water to release hydrogen, or electrons, at moderate temperatures. We discuss thermodynamic aspects of the bicarbonate–formate cycle and show how it offers the opportunity of combining electrochemical and thermochemical operations, as well as of coupling CO 2 capture with energy/hydrogen storage. We emphasize the potential role of electrochemistry in the generation of formate and in the release of energy in the form of electricity. At present, more information on both the fundamental and systems level, is needed to identify the feasible scenarios for using formate/bicarbonate salts for hydrogen/energy storage. It is likely, however, that several strategies, including hybrid electrochemical–thermochemical approaches, will suit different applications. It is also clear that more integration between the disciplines of electrochemistry and heterogeneous catalysis is needed to overcome the challenges for advancing the HCO 3 – –HCO 2 – system as a feasible green alternative for storing and transporting energy.
08 HYDROGEN↗
Improved Line Outage Detection in Transmission Systems with Few PMUs
Unlike transmission systems, distribution systems historically lack enough measurements, making their real-time monitoring almost impossible. Recent deployment of diverse types of devices such as phasor measurement units (PMUs), smart meters, solar inverters and weather information sensors opens up new ways of monitoring these systems, with the assistance of customized machine learning (ML) applications. The paper describes a grid-model-informed machine learning (ML) tool which integrates heterogeneous data streams and creates synchronous measurement snapshots to be used by a hybrid robust state estimator (SE) which provides not only accurate state estimates but also real-time feedback for ML model refinement. Improved monitoring performance due to the use of developed computational framework is experimentally observed by simulated scenarios on an electric utility’s distribution system.
Distribution systems, graph learning, machine lear↗
Spatially resolved charge-transfer kinetics at the quantum dot–microbe interface using fluorescence lifetime imaging microscopy
Integrating the optoelectronic properties of quantum dots (QDs) with biological enzymatic systems to form microbe-semiconductor biohybrids offers promising prospects for both solar-to-chemical conversion and light-modulated biochemical processes. Developing these nano–bio hybrid systems necessitates a deep understanding of charge-transfer dynamics at the nano–bio interface. Photoexcited carrier transfer from QDs to microbes is driven by complex interactions, with emerging insights into the relevant thermodynamic and kinetic factors. The heterogeneities of both microbes and QD ensembles pose significant challenges in mechanistic understanding, which is critical for designing advanced nano–bio hybrids. We used fluorescence lifetime imaging microscopy to analyze charge transfer between a CdSe QD film andShewanella oneidensismicrobes. We correlated the spatiotemporal fluorescence data with an analytical model. Our analysis revealed two distinct distributions of QD de-excitation pathways. The characteristics of these distributions: 1) a faster transfer rate ( k ¯ E T 1 = 1.5 10 9 s - 1 ), with a lower acceptor number ( N ¯ a 1 = 0.03 ) and 2) a slower transfer rate ( k ¯ E T 2 = 4.1 10 8 s - 1 ) with a higher acceptor number ( N ¯ a 2 = 0.18 ). We assign these distributions to the indirect and direct electron transfer mechanisms, respectively. Our findings demonstrate how spectroscopic imaging can uncover fundamental electron transfer mechanisms at complex interfaces, offering valuable design principles for future nano–bio hybrids.
Science & Technology - Other Topics↗
Opportunities and challenges in thermochemical conversion of municipal solid waste: A comprehensive review
Recent advancements in thermochemical conversion processes have elucidated new pathways for converting municipal solid waste into valuable resources. This review explores the primary thermochemical conversion methods, including combustion, gasification, pyrolysis, torrefaction, hydrothermal carbonization, and hydrothermal liquefaction, emphasizing their potential roles in waste management and energy recovery. Key challenges including feedstock variability, ash behavior, and scale-up limitations are discussed alongside opportunities for hybrid systems and circular economy integration. A comparative analysis of research publications indicates a significant focus on thermochemical pathways within the broader context of municipal solid waste research, underscoring the growing interest in these technologies. Recent advancements in each thermochemical process, alongside their operational, technical, and economic challenges, are discussed. Comparative data reveal that torrefaction enhances the hydrophobicity and grindability of municipal solid waste components, though its energy densification benefits are more modest than those observed in biomass. Hydrothermal carbonization and liquefaction are highlighted for their ability to process high-moisture and heterogeneous waste streams. The review also synthesizes recent findings on reactor configurations, emissions control, and synergistic effects in co-processing municipal solid waste fractions. The findings underscore the importance of developing standardized protocols for municipal solid waste characterization and the need for innovative hybrid systems to improve efficiency.
99 - GENERAL AND MISCELLANEOUS↗
Asynchronous-many-task systems: Challenges and opportunities - Scaling an AMR astrophysics code on exascale machines using Kokkos and HPX
Dynamic and adaptive mesh refinement is pivotal in high-resolution, multi-physics, multi-model simulations, necessitating precise physics resolution in localized areas across expansive domains. Today’s supercomputers’ extreme heterogeneity presents a significant challenge for dynamically adaptive codes, highlighting the importance of achieving performance portability at scale. Our research focuses on astrophysical simulations, particularly stellar mergers, to elucidate early universe dynamics. Here, we present Octo-Tiger, leveraging Kokkos, HPX, and SIMD for portable performance at scale in complex, massively parallel adaptive multi-physics simulations. Octo-Tiger supports diverse processors, accelerators, and network backends. Experiments demonstrate exceptional scalability across several heterogeneous supercomputers including Perlmutter, Frontier, and Fugaku, encompassing major GPU architectures and x86, ARM, and RISC-V CPUs. Parallel efficiency of 47.59% (110,080 cores and 6880 hybrid A100 GPUs) on a full-system run on Perlmutter (26% HPCG peak performance) and 51.37% (using 32,768 cores and 2048 MI250X) on Frontier are achieved.
97 MATHEMATICS AND COMPUTING↗