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All sourcesNASA NTRSDOE OSTI
NASA NTRS2003

Intelligent Systems Technologies to Assist in Utilization of Earth Observation Data

With the launch of several Earth observing satellites over the last decade, we are now in a data rich environment. From NASA's Earth Observing System (EOS) satellites alone, we are accumulating more than 3 TB per day of raw data and derived geophysical parameters. The data products are being distributed to a large user community comprising scientific researchers, educators and operational government agencies. Notable progress has been made in the last decade in facilitating access to data. However, to realize the full potential of the growing archives of valuable scientific data, further progress is necessary in the transformation of data into information, and information into knowledge that can be used in particular applications. Sponsored by NASA s Intelligent Systems Project within the Computing, Information and Communication Technology (CICT) Program, a conceptual architecture study has been conducted to examine ideas to improve data utilization through the addition of intelligence into the archives in the context of an overall knowledge building system. Potential Intelligent Archive concepts include: 1) Mining archived data holdings using Intelligent Data Understanding algorithms to improve metadata to facilitate data access and usability; 2) Building intelligence about transformations on data, information, knowledge, and accompanying services involved in a scientific enterprise; 3) Recognizing the value of results, indexing and formatting them for easy access, and delivering them to concerned individuals; 4) Interacting as a cooperative node in a web of distributed systems to perform knowledge building (i.e., the transformations from data to information to knowledge) instead of just data pipelining; and 5) Being aware of other nodes in the knowledge building system, participating in open systems interfaces and protocols for virtualization, and collaborative interoperability. This paper presents some of these concepts and identifies issues to be addressed by research in future intelligent systems technology.

Ramapriyan, Hampapuram K.↗
DOE OSTI2018

Scalable molecular dynamics with NAMD on the Summit system

According to the article, NAnoscale Molecular Dynamics (NAMD) is a parallel molecular dynamics application that has been used to make breakthroughs in understanding the structure and dynamics of large biomolecular complexes, such as viruses like HIV and various types of influenza. State-of-the-art biomolecular simulations often require integration of billions of timesteps, computing all interatomic forces for each femtosecond timestep. Molecular dynamics simulation of large biomolecular systems and long-timescale biological phenomena requires tremendous computing power. NAMD harnesses the power of thousands of heterogeneous processors to meet this demand. In this paper, we present algorithmic improvements and performance optimizations that enable NAMD to achieve high performance on the IBM Newell platform (with IBM POWER9 processors and NVIDIA Volta V100 GPUs), which underpins the Oak Ridge National Laboratory's Summit and Lawrence Livermore National Laboratory's Sierra supercomputers. The Top-500 supercomputers November 2018 list shows Summit at the number one spot, with 200 petaflop/s peak performance, and Sierra second with 125 petaflop/s. Optimizations for NAMD on Summit include: data layout changes for GPU acceleration and CPU vectorization, improving GPU offload efficiency, increasing performance with Parallel Active Messaging Interface support in Charm++, improving efficiency of fast Fourier transform calculations, improving load balancing, enabling better CPU vectorization and cache performance, and providing an alternative thermostat through stochastic velocity rescaling. We also present performance scaling results on early Newell systems.

Computer Science↗
DOE OSTI2021

RAVEN User Manual

RAVEN is a generic software framework to perform parametric and probabilistic analysis based on the response of complex system codes. The initial development was aimed to provide dynamic risk analysis capabilities to the Thermo-Hydraulic code RELAP-7, currently under development at the Idaho National Laboratory (INL). Although the initial goal has been fully accomplished, RAVEN is now a multi-purpose probabilistic and uncertainty quantification platform, capable to agnostically communicate with any system code. This agnosticism includes providing Application Programming Interfaces (APIs). These APIs are used to allow RAVEN to interact with any code as long as all the parameters that need to be perturbed are accessible by inputs files or via python interfaces. RAVEN is capable of investigating the system response, and investigating the input space using Monte Carlo, Grid, or Latin Hyper Cube sampling schemes, but its strength is focused to- ward system feature discovery, such as limit surfaces, separating regions of the input space leading to system failure, using dynamic supervised learning techniques. The development of RAVEN has started in 2012, when, within the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program, the need to provide a modern risk evaluation framework became stronger. RAVEN principal assignment is to provide the necessary software and algorithms in order to employ the concept developed by the Risk Informed Safety Margin Characterization (RISMC) program. RISMC is one of the pathways defined within the Light Water Reactor Sustainability (LWRS) program. In the RISMC approach, the goal is not just the individuation of the frequency of an event potentially leading to a system failure, but the closeness (or not) to key safety-related events. Hence, the approach is interested in identifying and increasing the safety margins related to those events. A safety margin is a numerical value quantifying the probability that a safety metric (e.g. for an important process such as peak pressure in a pipe) is exceeded under certain conditions. The initial development of RAVEN has been focused on providing dynamic risk assessment capability to RELAP-7, currently under development at the INL and, likely, future replacement of the RELAP5-3D code. Most the capabilities that have been implemented having RELAP-7 as principal focus are easily deployable for other system codes. For this reason, several side activates are currently ongoing for coupling RAVEN with soft- ware such as RELAP5-3D, etc. The aim of this document is the explanation of the input requirements, focalizing on the input structure.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2010

Orion Entry Display Feeder and Interactions with the Entry Monitor System

The Orion spacecraft is designed to return astronauts to a landing within 10 km of the intended landing target from low Earth orbit, lunar direct-entry, and lunar skip-entry trajectories. Al pile the landing is nominally controlled autonomously, the crew can fly precision entries manually in the event of an anomaly. The onboard entry displays will be used by the crew to monitor and manually fly the entry, descent, and landing, while the Entry Monitor System (EMS) will be used to monitor the health and status of the onboard guidance and the trajectory. The entry displays are driven by the entry display feeder, part of the Entry Monitor System (EMS). The entry re-targeting module, also part of the EMS, provides all the data required to generate the capability footprint of the vehicle at any point in the trajectory, which is shown on the Primary Flight Display (PFD). It also provides caution and warning data and recommends the safest possible re-designated landing site when the nominal landing site is no longer within the capability of the vehicle. The PFD and the EMS allow the crew to manually fly an entry trajectory profile from entry interface until parachute deploy having the flexibility to manually steer the vehicle to a selected landing site that best satisfies the priorities of the crew. The entry display feeder provides data from the ENIS and other components of the GNC flight software to the displays at the proper rate and in the proper units. It also performs calculations that are specific to the entry displays and which are not made in any other component of the flight software. In some instances, it performs calculations identical to those performed by the onboard primary guidance algorithm to protect against a guidance system failure. These functions and the interactions between the entry display feeder and the other components of the EMS are described.

Baird, Darren↗
NASA NTRS2003

Human-Robot Control Strategies for the NASA/DARPA Robonaut

The Robotic Systems Technology Branch at the NASA Johnson Space Center (JSC) is currently developing robot systems to reduce the Extra-Vehicular Activity (EVA) and planetary exploration burden on astronauts. One such system, Robonaut, is capable of interfacing with external Space Station systems that currently have only human interfaces. Robonaut is human scale, anthropomorphic, and designed to approach the dexterity of a space-suited astronaut. Robonaut can perform numerous human rated tasks, including actuating tether hooks, manipulating flexible materials, soldering wires, grasping handrails to move along space station mockups, and mating connectors. More recently, developments in autonomous control and perception for Robonaut have enabled dexterous, real-time man-machine interaction. Robonaut is now capable of acting as a practical autonomous assistant to the human, providing and accepting tools by reacting to body language. A versatile, vision-based algorithm for matching range silhouettes is used for monitoring human activity as well as estimating tool pose.

Diftler, M. A.↗
NASA NTRS2012

Hardware Implementation of Lossless Adaptive Compression of Data From a Hyperspectral Imager

Efficient onboard data compression can reduce the data volume from hyperspectral imagers on NASA and DoD spacecraft in order to return as much imagery as possible through constrained downlink channels. Lossless compression is important for signature extraction, object recognition, and feature classification capabilities. To provide onboard data compression, a hardware implementation of a lossless hyperspectral compression algorithm was developed using a field programmable gate array (FPGA). The underlying algorithm is the Fast Lossless (FL) compression algorithm reported in Fast Lossless Compression of Multispectral- Image Data (NPO-42517), NASA Tech Briefs, Vol. 30, No. 8 (August 2006), p. 26 with the modification reported in Lossless, Multi-Spectral Data Comressor for Improved Compression for Pushbroom-Type Instruments (NPO-45473), NASA Tech Briefs, Vol. 32, No. 7 (July 2008) p. 63, which provides improved compression performance for data from pushbroom-type imagers. An FPGA implementation of the unmodified FL algorithm was previously developed and reported in Fast and Adaptive Lossless Onboard Hyperspectral Data Compression System (NPO-46867), NASA Tech Briefs, Vol. 36, No. 5 (May 2012) p. 42. The essence of the FL algorithm is adaptive linear predictive compression using the sign algorithm for filter adaption. The FL compressor achieves a combination of low complexity and compression effectiveness that exceeds that of stateof- the-art techniques currently in use. The modification changes the predictor structure to tolerate differences in sensitivity of different detector elements, as occurs in pushbroom-type imagers, which are suitable for spacecraft use. The FPGA implementation offers a low-cost, flexible solution compared to traditional ASIC (application specific integrated circuit) and can be integrated as an intellectual property (IP) for part of, e.g., a design that manages the instrument interface. The FPGA implementation was benchmarked on the Xilinx Virtex IV LX25 device, and ported to a Xilinx prototype board. The current implementation has a critical path of 29.5 ns, which dictated a clock speed of 33 MHz. The critical path delay is end-to-end measurement between the uncompressed input data and the output compression data stream. The implementation compresses one sample every clock cycle, which results in a speed of 33 Msample/s. The implementation has a rather low device use of the Xilinx Virtex IV LX25, making the total power consumption of the implementation about 1.27 W.

Keymeulen, Didlier↗
DOE OSTI2023

pystorms: A simulation sandbox for the development and evaluation of stormwater control algorithms

Advances in cyber–physical technologies have enabled real-time sensing and adaptive control of stormwater infrastructure. These smart stormwater systems allow for inexpensive, minimally-invasive stormwater control interventions in lieu of new construction. Importantly, however promising the area of smart stormwater control, there still remain barriers – for experts and novices alike – to access shared tools and methods for investigating, developing, and contributing to it. In an effort to make smart stormwater control research more methodical and accessible, we present pystorms, an open-source Python-based simulation sandbox that facilitates the quantitative evaluation and comparison of control strategies. pystorms consists of a collection of real world-inspired smart stormwater control scenarios on which any number of control strategies can be applied and tested via an accompanying Python programming interface and coupled stormwater simulator. pystorms provides a framework for the rigorous and efficient evaluation of smart stormwater control methodologies across diverse watersheds with only a few lines of code.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

A Robust Method to Secure Multi-Inverter Grid Tied PV and Battery Energy Storage Systems Against Cyber Intrusions

This paper details a robust method to secure a multi-inverter grid tied system that interfaces photovoltaic (PV) and battery energy storage against potential cyber-attacks. The method can be applied to any third-party inverter systems without a need to modify their internal controls. A small random private excitation signal termed "watermark" is injected into the DC input voltage terminals (via a series transformer) connected to the PV/battery inverter system. An external robust cyber intrusion detector (CID) hardware consisting of a digital signal processor (DSP) generates the "watermark" and also receives the sensor signals that control the setpoints of the PV/battery grid tied system. The CID algorithm is shown to detect all possible cyber intrusions (such as false data injection(FDI)) on external sensor signals such as P and Q measured by a smart meter that control the overall system operation. The proposed CID computes online system ID and two variance tests in real time on each sensor signal and is able pinpoint intrusion location in a multi-inverter system. Results on a hardware in the loop (HIL) of a two-inverter grid connected system demonstrate effectiveness of the proposed CID system for FDI and unobservable FDI. Test results on a laboratory prototype will be discussed in the conference presentation.

Ibrahim, Hasan↗
NASA NTRS1997

Interactions of anesthetics with the water-hexane interface. A molecular dynamics study

The free energy profiles characterizing the transfer of nine solutes across the liquid-vapor interfaces of water and hexane and across the water-hexane interface were calculated from molecular dynamics simulations. Among the solutes were n-butane and three of its halogenated derivatives, as well as three halogenated cyclobutanes. The two remaining molecules, dichlorodifluoromethane and 1,2-dichloroperfluoroethane, belong to series of halo-substituted methanes and ethanes, described in previous studies (J. Chem. Phys. 1996, 104, 3760; Chem. Phys. 1996, 204, 337). Each series of molecules contains structurally similar compounds that differ greatly in anesthetic potency. The accuracy of the simulations was tested by comparing the calculated and the experimental free energies of solvation of all nine compounds in water and in hexane. In addition. the calculated and the measured surface excess concentrations of n-butane at the water liquid-vapor interface were compared. In all cases, good agreement with experimental results was found. At the water-hexane interface, the free energy profiles for polar molecules exhibited significant interfacial minima, whereas the profiles for nonpolar molecules did not. The existence of these minima was interpreted in terms of a balance between the free energy contribution arising from solute-solvent interactions and the work to form a cavity that accommodates the solute. These two contributions change monotonically, but oppositely, across the interface. The interfacial solubilities of the solutes, obtained from the free energy profiles, correlate very well with their anesthetic potencies. This is the case even when the Meyer-Overton hypothesis, which predicts a correlation between anesthetic potency and solubility in oil, fails.

NASA Center ARC↗
DOE OSTI2018

GQLink: an implementation of Quantized State Systems (QSS) methods in Geant4

Simulations in high energy physics (HEP) often require the numerical solution of ordinary differential equations (ODE) to determine the trajectories of charged particles in a magnetic field when particles move throughout detector volumes. Each crossing of a volume interrupts the underlying numerical method that solves the equations of motion, triggering iterative algorithms to estimate the intersection point within a given accuracy. The computational cost of this procedure can grow significantly depending on the application at hand. Quantized State System (QSS) is a recent family of discrete-event driven numerical methods exhibiting attractive features for this type of problems, such as native dense output (sequences of polynomial segments updated only by accuracy-driven events) and lightweight detection and handling of volume crossings. In this work we present GQLink, a proof-of-concept integration of QSS with the Geant4 simulation toolkit which stands as an interface for co-simulation that orchestrates robustly and transparently the interaction between the QSS simulation engine and aspects such as geometry definition and physics processes controlled by Geant4. In conclusion, we validate the accuracy and study the performance of the method in simple geometries (subject to intense volume crossing activity) and then in a realistic HEP application using a full CMS detector configuration.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1991

An overview of Space Communication Artificial Intelligence for Link Evaluation Terminal (SCAILET) Project

A software application to assist end-users of the link evaluation terminal (LET) for satellite communications is being developed. This software application incorporates artificial intelligence (AI) techniques and will be deployed as an interface to LET. The high burst rate (HBR) LET provides 30 GHz transmitting/20 GHz receiving (220/110 Mbps) capability for wideband communications technology experiments with the Advanced Communications Technology Satellite (ACTS). The HBR LET can monitor and evaluate the integrity of the HBR communications uplink and downlink to the ACTS satellite. The uplink HBR transmission is performed by bursting the bit-pattern as a modulated signal to the satellite. The HBR LET can determine the bit error rate (BER) under various atmospheric conditions by comparing the transmitted bit pattern with the received bit pattern. An algorithm for power augmentation will be applied to enhance the system's BER performance at reduced signal strength caused by adverse conditions.

Shahidi, Anoosh K.↗
NASA NTRS2012

Fault Tolerance Middleware for a Multi-Core System

Fault Tolerance Middleware (FTM) provides a framework to run on a dedicated core of a multi-core system and handles detection of single-event upsets (SEUs), and the responses to those SEUs, occurring in an application running on multiple cores of the processor. This software was written expressly for a multi-core system and can support different kinds of fault strategies, such as introspection, algorithm-based fault tolerance (ABFT), and triple modular redundancy (TMR). It focuses on providing fault tolerance for the application code, and represents the first step in a plan to eventually include fault tolerance in message passing and the FTM itself. In the multi-core system, the FTM resides on a single, dedicated core, separate from the cores used by the application. This is done in order to isolate the FTM from application faults and to allow it to swap out any application core for a substitute. The structure of the FTM consists of an interface to a fault tolerant strategy module, a responder module, a fault manager module, an error factory, and an error mapper that determines the severity of the error. In the present reference implementation, the only fault tolerant strategy implemented is introspection. The introspection code waits for an application node to send an error notification to it. It then uses the error factory to create an error object, and at this time, a severity level is assigned to the error. The introspection code uses its built-in knowledge base to generate a recommended response to the error. Responses might include ignoring the error, logging it, rolling back the application to a previously saved checkpoint, swapping in a new node to replace a bad one, or restarting the application. The original error and recommended response are passed to the top-level fault manager module, which invokes the response. The responder module also notifies the introspection module of the generated response. This provides additional information to the introspection module that it can use in generating its next response. For example, if the responder triggers an application rollback and errors are still occurring, the introspection module may decide to recommend an application restart.

Some, Raphael R.↗
DOE OSTI2024

OpenFacadeControl: enabling integration of automated facades with other building systems

Automated facades are, for the most part, still considered as separate from other building systems throughout the design, installation, commissioning, operation, and maintenance cycle. This takes place despite the fact that their energy and comfort performance are deeply interlinked with the operation of lighting and HVAC systems. Over the last two decades, research has shown that there are significant advantages from operating facades as an integrated system with the rest of the building. Nevertheless, significant barriers prevent this type of integration becoming more common. One of them is the lack of a platform that is inexpensive to implement and that easily allows the practical implementation of integrated control algorithms across fenestration and other building systems, using a variety of communications protocols. This is particularly challenging when automated facades are installed in existing buildings, where interaction with legacy building systems that were installed over the past lifetime of the building can require a high degree of interoperability. OpenFacadeControl (OFC) is an open-source controls framework aimed at unified control of facades and other building systems, including the sharing of third-party sensor information. Through leveraging the Volttron controls platform, it allows the integration of systems and sensors that are manufactured by different companies and that use different communications protocols into an ensemble that functions as a single system. OFC is designed to enable integrated control algorithms of varying degrees of complexity, ranging from simple, heuristic controls to more sophisticated approaches like model-predictive control. Use of a research version to test advanced lighting and shading strategies in a full-scale experimental testbed has demonstrated the ease of deploying advanced control solutions using OpenFacadeControl. This paper presents the structure of OpenFacadeControl and a demonstration case showing the use of OFC in laboratory tests of advanced lighting and fenestration controls that coordinated motorized shades communicating via the BACnet building communications standard and lights communicating via internet-protocol-based application programming interface (API), based on the readings of a shared light level sensor communicating via a different API.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Reflection and transmission of electromagnetic pulses at a planar dielectric interface -- theory and quantum lattice simulations

There is considerable interest in the application of quantum information science to advance computations in plasma physics. A particular point of curiosity is whether it is possible to take advantage of quantum computers to speed up numerical simulations relative to conventional computers. Many of the topics in fusion plasma physics are classical in nature. In order to implement them on quantum computers it will require couching a classical problem in the language of quantum mechanics. Electromagnetic waves are routinely used in fusion experiments to heat a plasma or to generate currents in the plasma. The propagation of electromagnetic waves is described by Maxwell equations with an appropriate description of the plasma as a dielectric medium. Before advancing to the tensor dielectric of a magnetized plasma, this paper considers electromagnetic wave propagation in a one-dimensional inhomogeneous scalar dielectric. The classic theory of scattering of plane electromagnetic waves at a planar interface, separating two different dielectric media, leads to Fresnel equations for reflection and transmission coefficients. In contrast to plane waves, this paper is on the reflection and transmission of a spatially confined electromagnetic pulse. Following an analytical formulation for the scattering of a Gaussian pulse, it is deduced that the maximum transmission coefficient for a pulse is $\sqrt{n_2/n_1}$ times that for a plane wave; the incident and transmitted pulses propagating in dielectric media with refractive indices $n_1$ and $n_2$, respectively. The analytical theory is complemented by numerical simulations using a quantum lattice algorithm for Maxwell equations. The algorithm, based on the Riemann-Silberstein-Weber representation of the electromagnetic fields and expressed in term of qubits, is an interleaved sequence of entangling operators at each lattice site and unitary streaming operators which transmit information from one site to an adjacent lattice site. Besides substantiating results from the theory for Gaussian pulses, numerical simulations show their validity for non-Gaussian pulses. Apart from their time-asymptotic forms, the simulations display an interplay between the incident, reflected, and transmitted pulses in the vicinity of the transition region between two dielectric media.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2007

Smart Payload Development for High Data Rate Instrument Systems

This slide presentation reviews the development of smart payloads instruments systems with high data rates. On-board computation has become a bottleneck for advanced science instrument and engineering capabilities. In order to improve the computation capability on board, smart payloads have been proposed. A smart payload is a Localized instrument, that can offload the flight processor of extensive computing cycles, simplify the interfaces, and minimize the dependency of the instrument on the flight system. This has been proposed for the Mars mission, Mars Atmospheric Trace Molecule Spectroscopy (MATMOS). The design of this system is discussed; the features of the Virtex-4, are discussed, and the technical approach is reviewed. The proposed Hybrid Field Programmable Gate Array (FPGA) technology has been shown to deliver breakthrough performance by tightly coupling hardware and software. Smart Payload designs for instruments such as MATMOS can meet science data return requirements with more competitive use of available on-board resources and can provide algorithm acceleration in hardware leading to implementation of better (more advanced) algorithms in on-board systems for improved science data return

Virtex-4↗
NASA NTRS2015

OSOAA: A Vector Radiative Transfer Model of Coupled Atmosphere-Ocean System for a Rough Sea Surface Application to the Estimates of the Directional Variations of the Water Leaving Reflectance to Better Process Multi-angular Satellite Sensors Data Over the Ocean

In this study, we present a radiative transfer model, so-called OSOAA, that is able to predict the radiance and degree of polarization within the coupled atmosphere-ocean system in the presence of a rough sea surface. The OSOAA model solves the radiative transfer equation using the successive orders of scattering method. Comparisons with another operational radiative transfer model showed a satisfactory agreement within 0.8%. The OSOAA model has been designed with a graphical user interface to make it user friendly for the community. The radiance and degree of polarization are provided at any level, from the top of atmosphere to the ocean bottom. An application of the OSOAA model is carried out to quantify the directional variations of the water leaving reflectance and degree of polarization for phytoplankton and mineral-like dominated waters. The difference between the water leaving reflectance at a given geometry and that obtained for the nadir direction could reach 40%, thus questioning the Lambertian assumption of the sea surface that is used by inverse satellite algorithms dedicated to multi-angular sensors. It is shown as well that the directional features of the water leaving reflectance are weakly dependent on wind speed. The quantification of the directional variations of the water leaving reflectance obtained in this study should help to correctly exploit the satellite data that will be acquired by the current or forthcoming multi-angular satellite sensors.

Ocean surface↗
NASA NTRS2021

SNPP VIIRS Day Night Band: Ten Years of On-Orbit Calibration and Performance

Aboard the polar-orbiting SNPP satellite, the VIIRS instrument has been in operation since launch in October 2011. It is a visible and infrared radiometer with a unique panchromatic channel capability designated as a day-night band (DNB). This channel covers wavelengths from 0.5 to 0.9 µm and is designed with a near-constant spatial resolution for Earth observations 24 h a day. The DNB operates at 3 gain stages (low, middle, and high) to cover a large dynamic range. An onboard solar diffuser (SD) is used for calibration in the low gain stage, and to enable the derivation of gain ratios between the different stages. In this paper, we present the SNPP VIIRS DNB calibration performed by the NASA VIIRS characterization support team (VCST). The DNB calibration algorithms are described to generate the calibration coefficient look up tables (LUTs) for the latest NASA Level 1B Collection 2 products. We provide an evaluation of DNB on-orbit calibration performance. This activity supports the NASA Earth science community by delivering consistent VIIRS sensor data products via the Land Science Investigator-led Processing Systems, including the SD degradation applied for DNB calibrations in detector gain and gain ratio trending. The DNB stray light contamination and its correction are highlighted. Performance validations are presented using comparisons to the calibration methods employed by NOAA’s operational Interface Data Processing Segment. Further work on stray light corrections is also discussed.

VIIRS↗
DOE OSTI2024

QSpace - An open-source tensor library for Abelian and non-Abelian symmetries

This is the documentation for the tensor library QSpace (v4.0), a toolbox to exploit ‘quan tum symmetry spaces’ in tensor network states in the quantum many-body context. QSpace permits arbitrary combinations of symmetries including the abelian symmetries $\mathbb{Z}_n$ and U(1), as well as all non-abelian symmetries based on the semisimple classical Lie algebras: A n , B n , C n , and D n , or respectively, the special unitary group SU(n), the odd orthogonal group SO(2n+1), the symplectic group Sp(2n), and the even orthogonal group SO(2n). The code (C++ embedded via the MEX interface into Matlab) is available open source as of QSpace v4.0 on bitbucket under the Apache 2.0 license. QSpace is designed as a bottom-up approach for non-abelian symmetries. It starts from the defining representation and the respective Lie algebra. By explicitly comput ing and tabulating generalized Clebsch-Gordan coefficient tensors, QSpace is versatile in the type of operations that it can perform across all symmetries. At the level of an ap plication, much of the symmetry-related details are hidden within the QSpace C++ core libraries. Hence when developing tensor network algorithms with QSpace, these can be coded (nearly) as if there are no symmetries at all, despite being able to fully exploit general non-abelian symmetries.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗