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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
DOE OSTI2025

Quantum Software Engineering (Dagstuhl Seminar 24512)

The Dagstuhl Seminar 24512 on "Quantum Software Engineering" was held from December 15 to 20, 2024. It brought together 26 participants from industry and academia from 13 different countries, including senior and junior researchers as well as practitioners in the field of Quantum Software Engineering. The aim of the seminar was to advance software engineering methods and tools for the engineering of hybrid quantum systems by promoting personal interaction and open discussion among researchers who are already working in this emerging area of knowledge. The first day of the seminar was devoted to the topic "When software engineering meets quantum mechanics", while the second day focused on "Quantum software engineering and its challenges." During both days, 16 invited presentations were given. The rest of the seminar was organized into three working groups to address the topics "Quantum Software Design, Modelling and Architecturing", "Adaptive Hybrid Quantum Systems", and "Quantum Software Quality Assurance". The seminar was a very fruitful experience for all participants both in terms of scientific outcomes and in terms of the personal relationships that were generated to jointly address future experiences.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Forte: A suite of advanced multireference quantum chemistry methods

Software development plays a critical role in advancing quantum chemistry, enabling the exploration of new fundamental theoretical ideas and modeling systems of ever-increasing complexity. In the past decade, the availability of quantum chemistry packages that use modular designs and provide application programming interfaces (APIs) has enabled the creation of specialized software plugins, enhancing the capabilities of the original codes. Here, the availability of well-documented APIs is particularly beneficial in the context of academic scientific software development because it reduces the entry barrier for new developers and shields them from the complexities of large software projects.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Recent Developments in DFTB+, a Software Package for Efficient Atomistic Quantum Mechanical Simulations

DFTB+ is a flexible, open-source software package developed by its community, designed for fast and efficient atomistic quantum mechanical simulations. It employs various methods that approximate density functional theory (DFT), such as density functional-based tight binding (DFTB) and the extended tight binding (xTB) approach allowing simulations of large systems over extended time scales with reasonable accuracy, while being significantly faster than traditional ab initio methods. In recent years, several new extensions of the DFTB method have been developed and implemented in the DFTB+ program package in order to improve the accuracy and generality of the available simulation results. In this paper, we review those enhancements, show several use case examples and discuss the strengths and limitations of its features.

36 MATERIALS SCIENCE↗
NASA NTRS1976

OAST Space Theme Workshop. Volume 3: Working group summary. 4: Software (E-4). A. Summary. B. Technology needs (form 1). C. Priority assessment (form 2)

Only a few efforts are currently underway to develop an adequate technology base for the various themes. Particular attention must be given to software commonality and evolutionary capability, to increased system integrity and autonomy; and to improved communications among the program users, the program developers, and the programs themselves. There is a need for quantum improvement in software development methods and increasing the awareness of software by all concerned. Major thrusts identified include: (1) data and systems management; (2) software technology for autonomous systems; (3) technology and methods for improving the software development process; (4) advances related to systems of software elements including their architecture, their attributes as systems, and their interfaces with users and other systems; and (5) applications of software including both the basic algorithms used in a number of applications and the software specific to a particular theme or discipline area. The impact of each theme on software is assessed.

Source record↗
DOE OSTI2026

A Review of Software for Designing and Operating Quantum Networks

Quantum networks development is crucial to realizing a production-grade network that can support distributed sensing, secure communication, and utility-scale quantum computation. However, the transition from laboratory demonstration to deployable networks requires software implementations of architectures and protocols tailored to the unique constraints of quantum systems. This paper reviews the current state of software implementations for quantum networks, organized around a three-plane abstraction of infrastructure, logical, and control/service planes. We cover software for both designing quantum network protocols (e.g., SeQUeNCe, QuISP, and NetSquid) and operating testbeds, with a focus on essential control/service plane functions such as entanglement, topology, and resource management, in a proposed taxonomy. Our review highlights a persistent gap between theoretical architecture and protocol proposals and their realization in simulators or testbeds, particularly in dynamic topology and network management. We conclude by outlining open challenges and proposing a roadmap for developing scalable software architectures to enable hybrid, large-scale quantum networks.

Network Design↗
NASA NTRS2005

NASA Tech Briefs, January 2005

Topics covered include: Fiber-Optic Sensor Would Monitor Growth of Polymer Film; Sensors for Pointing Moving Instruments Toward Each Other; Pd/CeO2/SiC Chemical Sensors; Microparticle Flow Sensor; Scattering-Type Surface-Plasmon-Resonance Biosensors; Diode-Laser-Based Spectrometer for Sensing Gases; Improved Cathode Structure for a Direct Methanol Fuel Cell; X-Band, 17-Watt Solid-State Power Amplifier; Improved Anode for a Direct Methanol Fuel Cell; Tools for Designing and Analyzing Structures; Interactive Display of Scenes with Annotations; Solving Common Mathematical Problems; Tools for Basic Statistical Analysis; Program Calculates Forces in Bolted Structural Joints; Integrated Structural Analysis and Test Program; Molybdate Coatings for Protecting Aluminum Against Corrosion; Synthesizing Diamond from Liquid Feedstock; Modifying Silicates for Better Dispersion in Nanocomposites; Powder-Collection System for Ultrasonic/Sonic Drill/Corer; Semiautomated, Reproducible Batch Processing of Soy; Hydrogen Peroxide Enhances Removal of NOx from Flue Gases; Subsurface Ice Probe; Real-Time Simulation of Aeroheating of the Hyper-X Airplane; Using Laser-Induced Incandescence To Measure Soot in Exhaust; Method of Real-Time Principal-Component Analysis; Insect-Inspired Flight Control for Unmanned Aerial Vehicles; Domain Compilation for Embedded Real-Time Planning; Semantic Metrics for Analysis of Software; Simulation of Laser Cooling and Trapping in Engineering Applications; Large Fluvial Fans and Exploration for Hydrocarbons; Doping-Induced Interband Gain in InAs/AlSb Quantum Wells; Development of Software for a Lidar-Altimeter Processor; Upgrading the Space Shuttle Caution and Warning System; and Fractal Reference Signals in Pulse-Width Modulation.

Source record↗
NASA NTRSDate not supplied

Introduction to Quantum Computing

Quantum computing offers the potential to revolutionize high-performance computing by providing a means to solve certain computational problems asymptotically faster than any classical computer. Quantum computing has advanced recently from merely a theoretical possibility to engineered reality, including commercial entities offering early prototype quantum processors, both special-purpose quantum annealers and general-purpose gate-model processors. The media have been showcasing each new development and implicitly conveying the message that quantum-computing ubiquity is nigh. Here, we will respond to this hype and provide an overview of the exciting but still early state of the field. In this tutorial, we introduce participants to the computational models that give quantum computing its immense computational power. We examine the thought processes that programmers need to map problems to quantum computers. And we discuss hardware and algorithmic challenges that must be overcome before quantum computing becomes a component of every software developer's repertoire.

Quantum computing↗
NASA NTRS2003

The Development of Design Tools for Fault Tolerant Quantum Dot Cellular Automata Based Logic

We are developing software to explore the fault tolerance of quantum dot cellular automata gate architectures in the presence of manufacturing variations and device defects. The Topology Optimization Methodology using Applied Statistics (TOMAS) framework extends the capabilities of the A Quantum Interconnected Network Array Simulator (AQUINAS) by adding front-end and back-end software and creating an environment that integrates all of these components. The front-end tools establish all simulation parameters, configure the simulation system, automate the Monte Carlo generation of simulation files, and execute the simulation of these files. The back-end tools perform automated data parsing, statistical analysis and report generation.

Armstrong, Curtis D.↗
NASA NTRSDate not supplied

Introduction to Quantum Computing

Quantum computing offers the potential to revolutionize high-performance computing by providing a means to solve certain computational problems asymptotically faster than any classical computer. Quantum computing has advanced recently from merely a theoretical possibility to engineered reality, including commercial entities offering early prototype quantum processors, both special-purpose quantum annealers and general-purpose gate-model processors. The media have been showcasing each new development and implicitly conveying the message that quantum-computing ubiquity is nigh. Here, we will respond to this hype and provide an overview of the exciting but still early state of the field. In this tutorial, we introduce participants to the computational models that give quantum computing its immense computational power. We examine the thought processes that programmers need to map problems to quantum computers. And we discuss hardware and algorithmic challenges that must be overcome before quantum computing becomes a component of every software developer's repertoire. (Update of 2022 slides)

Quantum computing↗
DOE OSTI2026

SoS-SDQN: System of Systems Software-defined Quantum Networking

Quantum networks are needed for quantum domain applications that may run across different network deployments - point-to-point, multi-node networks, and possibly across inter-domain quantum networks, like the quantum internet. Unlike classical computing networks, quantum networks involve heterogeneous systems nodes that currently require local and manual control. This needs a unified control approach to help them integrate, work seamlessly, and have global knowledge. Software-defined Networking (SDN) has been successfully leveraged in classical networking for seamless and software-driven control of network infrastructure and packet switching, but not in management of quantum network applications across heterogeneous systems. In this paper, we review the current state of the art and present early developments of a System-of-Systems Software-defined Quantum Networking architecture (SoS-SDQN), a generic architecture that supports software-driven quantum network experiments across heterogeneous quantum systems. The architecture modifies the generic SDN to address the domain requirements of quantum networks and proposes a multilevel SDQN to provide a global view of network status, running applications, and control of incorporated heterogeneous quantum systems. We also design and implement a SoS SouthBound Quantum Interface (SoS-SBQI), a quantum infrastructure protocol that abstracts automation of applications across the network.

Alnajjar, Anees [ORNL] (ORCID:0000000237101601)↗
DOE OSTI2025

Quantum Computing Strategy 2026

Quantum computing (QC) is a rapidly maturing technology with the potential for revolutionary impacts on stockpile stewardship science and national security. Recent developments in fault-tolerant architectures have compressed vendor roadmaps, and predictions of a production-ready quantum computer by the mid-2030s are becoming increasingly credible. This strategy provides a roadmap for integrating QC into the Advanced Simulation and Computing (ASC) program by investing in four strategic focus areas: 1. Develop Capabilities in Mission-Relevant Quantum Applications: ASC will prioritize developing quantum-ready applications in mission areas that have shown significant promise for quantum advantage, including simulations of materials in extreme environments, nuclear dynamics, solving linear and nonlinear partial differential equations, and uncertainty quantification. These applications directly support stockpile stewardship science and modernization objectives. 2. Conduct R&D in Algorithms, Software, and Hardware: Sustained research into quantum algorithms, robust software tools, and quantum hardware is essential. ASC will develop efficient quantum algorithms; invest in quantum compilers, debuggers, and performance tools; and explore specialized quantum hardware tailored to NNSA’s unique requirements. 3. Engage with Vendors and Partners: Early and active collaboration with commercial quantum hardware vendors and academic partners is critical. Through testbeds, co-design agreements, and quantum demonstration facilities, ASC will influence hardware design, gain early access to emerging technologies, and ensure that quantum platforms evolve to meet mission needs. 4. Build Knowledge, Experience, and Workforce: Expanding and upskilling the quantum-trained workforce is essential to long-term success. This includes hiring, internal training, university outreach, and postdoctoral support to ensure ASC maintains the expertise required to operate, program, and integrate quantum systems as they become available. While quantum computing will never replace classical computing, it has the potential to solve certain problems with speed and accuracy that would be unachievable using any conceivable classical high-performance computing (HPC) system. By investing strategically in QC, ASC will help propel the emergent QC industry, maintain U.S. technological leadership, ensure mission readiness, and position itself to rapidly adopt quantum technologies as they mature.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Tough Errors Are no Match (TEAM): Optimizing the quantum compiler for noise resilience

This report summarizes Unitary Fund’s contributions to the Department of Energy’s TEAM project (DE-SC0020266) under Thrust 2: Quantum Programming and Compilation. The central outcomes of this work have been the development of Mitiq, an open-source Python toolkit for applying quantum error mitigation (QEM) techniques to noisy quantum programs, and the invention, benchmarking and theoretical investigation of novel QEM techniques. Additional outcomes include the development of other open source software packages for the usage, simulation and control of quantum computers.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

A Framework for Integrating Quantum Simulation and High Performance Computing

Scientific applications are starting to explore the viability of quantum computing. This exploration typically begins with quantum simulations that can run on existing classical platforms, albeit without the performance advantages of real quantum resources. In the context of high-performance computing (HPC), the incorporation of simulation software can often take advantage of the powerful resources to help scale-up the simulation size. The configuration, installation and operation of these quantum simulation packages on HPC resources can often be rather daunting and increases friction for experimentation by scientific application developers. We describe a framework to help streamline access to quantum simulation software running on HPC resources. This includes an interface for circuit-based quantum computing tasks, as well as the necessary resource management infrastructure to make effective use of the underlying HPC resources. The primary contributions of this work include a classification of different usage models for quantum simulation in an HPC context, a review of the software architecture for our approach and a detailed description of the prototype implementation to experiment with these ideas using two different simulators (TNQVM & NWQ-Sim). We include initial experimental results running on the Frontier supercomputer at the Oak Ridge Leadership Computing Facility (OLCF) using a synthetic workload generated via the SupermarQ quantum benchmarking framework.

Shehata, Amir [ORNL] (ORCID:0000000224531426)↗
DOE OSTI2025

The Italian Summer Students Program at Fermilab and other US Laboratories: 40 years of education in particle physics and technology

Since 1983 the Italian groups collaborating with Fermilab (US) have been running a 2-month summer training program for Master students. While in the first year the program involved only 4 physics students, in the following years it was extended to engineering students. Many students have extended their collaboration with Fermilab with their Master Thesis and PhD. The program has involved more than 600 Italian students from more than 20 Italian universities. Each intern is supervised by a Fermilab Mentor responsible for the training program. Training programs spanned from Tevatron, CMS, Muon (g-2), Mu2e and SBN (MicroBooNE, Icarus, and SBND) and DUNE design and data analysis, development of particle detectors, design of electronic and accelerator components, development of infrastructures and software for tera-data handling, quantum computing and research on superconductive elements and accelerating cavities. In 2015 the University of Pisa included the program within its own educational programs. Summer Students are enrolled at the University of Pisa for the duration of the internship and at the end of the internship they write summary reports on their achievements. After positive evaluation by a University of Pisa Examining Board, interns are acknowledged 6 ECTS credits for their Diploma Supplement. The program was paused in 2020 and 2021 due to the COVID-19 pandemic, but it resumed in 2022. From 2022 to 2024, a total of 60 students participated in the nine-week training at Fermilab. We are currently organizing the 2025 program. This paper provides an overview of the program, which can serve as a model for other interested laboratories.

Barzi, Emanuela [Ohio State U.]↗
DOE OSTI2024

The Italian Summer Students Program at Fermilab and other US Laboratories: 40 years of education in particle physics and technology

Since 1983 the Italian groups collaborating with Fermilab (US) have been running a 2-month summer training program for Master students. While in the first year the program involved only 4 physics students, in the following years it was extended to engineering students. Many students have extended their collaboration with Fermilab with their Master Thesis and PhD. The program has involved almost 600 Italian students from more than 20 Italian universities. Each intern is supervised by a Fermilab Mentor responsible for the training program. Training programs spanned from Tevatron, CMS, Muon (g-2), Mu2e and SBN and DUNE design and data analysis, development of particle detectors, design of electronic and accelerator components, development of infrastructures and software for tera-data handling, quantum computing and research on superconductive elements and accelerating cavities. In 2015 the University of Pisa included the program within its own educational programs. Summer Students are enrolled at the University of Pisa for the duration of the internship and at the end of the internship they write summary reports on their achievements. After positive evaluation by a University of Pisa Examining Board, interns are acknowledged 6 ECTS credits for their Diploma Supplement. In the years 2020 and 2021 the program was canceled due to the sanitary emergency but in 2022 it was restarted and allowed a cohort of 21 students in 2022, and a cohort of 27 students in 2023 to be trained for nine weeks at Fermilab. We are now organizing the 2024 program.

Barzi, Emanuela↗
DOE OSTI2026

Fundamental Algorithmic Research for Quantum Computing (FAR‐QC) (Final report)

This document is the final technical report for the "Fundamental Algorithmic Research for Quantum Computing" (FAR-QC) project at Dartmouth College (PI: J. Whitfield, co-PI: L. Viola). It details the project's primary scientific accomplishments from 2019 to 2025, focusing on advances in quantum simulation algorithms, resource-efficient fermionic encodings, bosonic topology, and optimization methods for near-term quantum devices. The report also summarizes project impacts, including software development (Quiqbox.jl), workforce training, and a complete list of resulting publications.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1981

A computer controlled television detector for light, X-rays and particles

A versatile, high resolution, software configurable, two-dimensional intensified vidicon quantum detector system has been developed for multiple research applications. A thin phosphor convertor allows the detection of X-rays below 20 keV and non-relativistic particles in addition to visible light, and a thicker scintillator can be used to detect X-rays up to 100 keV and relativistic particles. Faceplates may be changed to allow any active area from 1 to 40 mm square, and active areas up to 200 mm square are possible. The image is integrated in a digital memory on any software specified array size up to 4000 x 4000. The array size is selected to match the spatial resolution, which ranges from 10 to 100 microns depending on the operating mode, the active area, and the photon or particle energy. All scan and data acquisition parameters are under software control to allow optimal data collection for each application.

Kalata, K.↗