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NASA NTRS2016

40 Years of Processing Pieces of Space

This year marks the 40th year anniversary for the Antarctic Search for Meteorite (ANSMET) program. In 1976, the ANSMET program led the first expedition to Antarctica. The ANSMET program is a US-led field-based science project that recovers meteorite samples from Antarctica. Once a year from late November to late January, a field team consisting of 8 to 12 people, spends 6-8 weeks camping on the ice and collecting meteorites. Since 1976, more than 22,000 meteorite samples have been recovered. These meteorites come from asteroids, planets and other bodies of the solar system. Once collected, the Antarctic meteorites are shipped to NASA/Johnson Space Center (JSC) Houston, TX. in a refrigerated truck and are kept frozen to minimize oxidation until they are ready for initial processing. In Antarctica each meteorite is given a field tag which consists of numbers, once in the lab, this is replaced by an official tag, consisting of the Antarctic field location and year collected. The types and numbers of meteorites that have been classified include 849 carbonaceous chondrites, 135 enstatites, 512 achondrites, 64 stony, 115 irons, 48 others (27 R chondrites, 7 ungrouped), 6,161 H chondrites, 7,668 L chondrites, and 4,589 LL chondrites. Although 80-85 percent of the collected meteorites fall in the ordinary chondrite group, the other approximately 15 percent represent rare types of achondrites and carbonaceous chondrites. These rare meteorites include 25 lunar meteorites, 15 Martian meteorites, scores of various types of carbonaceous chondrites, and unique achondrites. The Antarctic meteorites that have been collected are processed in the Meteorite Processing Lab at JSC in Houston, TX. Initial processing of the meteorites begins with thawing/drying the meteorites in a nitrogen glove box for 24 to 48 hours. The meteorites are then photographed, measured, weighed and a description of the interior and exterior of each meteorite is written. The meteorite is broken and a representative sample, either a 1-3 gram chip or thin section is sent to the Smithsonian Institution for classification. After Antarctic meteorites have been classified and approved by the Nomenclature Committee of the Meteoritical Society, they are announced in the Antarctic Meteorite Newsletter, which is published twice per year (fall and spring) so that scientists may review which meteorites are available to study. Requests for Antarctic Meteorite samples are welcomed from research scientists, regardless of their current state of funding for meteorite studies. Since its inception over 3,300 requests have been made for pieces of these meteorites and over 400 investigators worldwide are active in the study of meteorites.. Research on these samples has been published in more than1500 peer reviewed articles; a listing of papers for any meteorite sample can be generated by accessing http://curator.jsc.nasa.gov/antmet/referencesearch.cfm. Antarctic meteorite samples requested by scientists are prepared several different ways. Most samples are prepared as chips, either using a rock splitter or using a chisel and chipping bowl. In special situations, a researcher may request a meteorite slab in which case the samples are cut using a diamond-bladed bandsaw inside of a dry nitrogen glove box. The meteorites are always cut in a 100 percent liquid-free environment. Additionally, thin/thick sections of Antarctic meteorites are also prepared at JSC. The meteorite thin section lab at JSC can prepare standard 30-micron thin sections, thick sections of variable thickness (100 to 200 microns), or demountable sections using superglue, all section are prepared without using water. Although many of the techniques used back in the '70's are still used today, advances in computers, software, databases, available tools and instrumentation have helped to streamline and shorten the duration of the classification process. In conjunction with present day missions to asteroids and other planets, meteorite studies have not only led to a better understanding of the complex histories of these bodies but have also tied certain meteorite groups to particular asteroid bodies. New meteorite discoveries by the ANSMET program provide a cost effective method for obtaining samples of previously unsampled bodies, allowing scientists to learn more about the origin, composition, and evolution of the solar system. Preservation in our cleanrooms at NASA allows material to be archived for future generations and advances in instrumentation and analysis.

Satterwhite, C. E.↗

NASA NTRSDate not supplied

Laboratory on the Moon: Equipping and Testing of a Habitat Laboratory for the Scientific Exploration of the Moon by Humans

A human habitat on the Moon is predestined to house a laboratory, especially if it is built for scientific missions on the Moon. This laboratory could be used for (1) conducting experiments utilizing the lunar gravity and prepare experiments to be placed outside the laboratory in the lunar environment, (2) conducting analyses of lunar rock and regolith in high volume, and (3) performing preliminary analyses and screening of samples to be sent to Earth for more detailed, specialized analysis. In the past, spaceflight missions have often been implemented by adding scientific instruments after most of the engineering work is already finished, limiting scientific studies to relatively scattered, insular topics. However, if prepared appropriately, a research laboratory on the Moon can help address scientific questions thoroughly and at a fundamental level. Moreover, the challenge of creating a viable habitat is not only an engineering one, but one that requires input from architects, designers, and psychologists. After all, the crew not only works inside the habitat laboratory, but they spend (close to) their entire time on the Moon inside the habitat and under the isolation and confinement that comes with it. We combine science, engineering, and architecture to create a habitat laboratory that meets their conflicting requirements: The laboratory of the Moon and Mars Base Analog (MaMBA) has been designed with inputs from (1) scientists of selected disciplines, particularly geology, materials science, chemistry, biology, and medicine, (2) space architects specializing on extraterrestrial bases, and (3) engineers for the constraints imposed by the lunar environment. The MaMBA laboratory was built in 2019 into the mock-up of the first MaMBA module (out of six). Subsequently, the laboratory was tested by volunteer scientists for its usability. The scientists used the laboratory for work deemed representative of lunar scientific analyses; the complete test runs lasted one week each, with one test run in June 2019 and the second test run in late September 2019 following some modifications suggested by the scientists. Here, we will present an overview of the scientific topics that we think should be addressed on the Moon, together with a suggestion of scientific instrumentation that would be helpful for such investigations. Moreover, we present the MaMBA laboratory, equipped with the proposed instrumentation, and the outcomes of the test runs with a particular focus on the lessons learned regarding the equipping of the laboratory.

Christiane Heinicke↗

NASA NTRSDate not supplied

ImageLabler: Labeling and Managing Image Data for Machine Learning in the Earth Sciences

While machine learning techniques for image classification have been around for a long time, storing and managing the vast number of images required as training data is still a problem for scientists. This is especially true for the field of Earth science, where only recently have experts begun using machine learning techniques for image-based phenomena classification. Image Labeler, a fast and scalable cloud-based tagging platform for Earth science images, seeks to improve upon existing methods of managing images and associated metadata, such as maintaining categorized folders of images on a local machine, a process that can be cumbersome and difficult to scale. The platform facilitates rapid development of image-based Earth science phenomena training datasets by allowing scientists to upload their existing imagery as well as extract new samples from open satellite imagery services made available through NASA’s Global Imagery Browse Service (GIBS). Image Labeler also supports GeoTIFF data, with capabilities such as displaying GeoTIFFs on an interactive map, drawing shapefiles over them, and tagging them with additional metadata. This allows scientists to perform spatiotemporal subsetting with geographic information and develop training data more quickly. Built using modern web technologies, Image Labeler includes additional capabilities such as team collaboration for large-scale image tagging projects. Users can download their data in a machine-learning-ready format, allowing scientists to spend time on experimentation rather than on the collection of training data. In this presentation, we demonstrate how Image Labeler seeks to become a one-stop image data management solution for machine learning applications in Earth science.

Ashish Acharya↗

NASA NTRS2020

Astro-animation - A case study of art and science education

Art and science are different ways of exploring the world, but together they have the potential to be thought-provoking, facilitate a science‐society dialogue, raise public awareness of science and develop an understanding of art. For several years, we have been teaching an astro-animation class at the Maryland Institute College of Art as a collaboration between students and NASA scientists. Working in small groups, the students create short animations based on the research of the scientists who are going to follow the projects as mentors. By creating these animations, students bring the power of their imagination to see the research of the scientists through a different lens. Astro-animation is an undergraduate-level course jointly taught by an astrophysicist and an animator. In this article, we present the motivation behind the class, describe the details of how it is carried out and discuss the interactions between artists and scientists. We describe how such a programme offers an effective way for art students, not only to learn about science but to have a glimpse of ‘science in action’. The students have the opportunity to become involved in the process of science as artists, as observers first and potentially through their own art research. Every year, one or more internships at NASA Goddard Space Flight Center have been available for our students in the summer. Two students describe their experiences undertaking these internships and how science affects their creation of animations for this programme and in general. We also explain the genesis of our astro-animation programme, how it is taught in our animation department and we present the highlights of an investigation of the effectiveness of this programme we carried out with the support of an NEA research grant. In conclusion, we discuss how the programme may grow in new directions, such as contributing to informal STE(A)M learning.

Laurence Arcadias↗

NASA NTRSDate not supplied

How Discipline-Oriented DAACs Collaborate to Support Interdisciplinary Earth Science

The Earth system is made of multiple complex subsystems. While scientists tend to specialize in single subsystems or even portions of a subsystem, to fully understand the physical, chemical and biological processes occurring on the Earth, we must understand how these systems interact. Thus, scientists need to be able to expand beyond their chosen field and collaborate across disciplines. The NASA Earth Observing System Data and Information System (EOSDIS) is focusing on new capabilities to make interdisciplinary science easier. The EOSDIS DAACS are responsible for archiving and distributing NASA’s rapidly growing collection of satellite, airborne and field data. Like the scientists they serve, the DAACs are discipline oriented. This has many advantages. Scientists are able to interact with experts on data in their domain and receive data appropriate for their research. However, discipline-oriented services may be confusing to cross-disciplinary users who may not know how to get started. Fortunately, collaboration across scientific communities is a specialty of the DAACs who support interdisciplinary users with a collaborative culture and technology that empowers the open sharing of data, information, and knowledge within the scientific community and the wider public to accelerate scientific research and understanding. This presentation will discuss the capabilities of a discipline-oriented approach to support future Earth science goals including those of Open Science and cross-disciplinary collaboration.

Sara Lubkin↗

NASA NTRSDate not supplied

Development of a Virtual Tool to Connect Classrooms to NASA Airborne Science Missions

The NASA Airborne Science Program (ASP) conducts research around the world using various aircraft systems. Researchers have studied monsoons in the Philippines, clouds in Bermuda, fires over the United States, the atmosphere over Antarctica, and so much more. Each of these missions is not only a chance to discover more about our planet, but also to connect students with the scientists making these discoveries. The NASA Airborne Science Mission Tool Suite (MTS) supports NASA flight projects by providing easy to access web-based tools to support planning, communication, and discovery. At its core, MTS links ground science support and flight scientists and provides aircraft situational awareness and visualization of real time data collected during flight. Each mission has different needs, and the basic tools MTS provides are reconfigured for every flight mission. One instance of the MTS, called MTS-Outreach or MTS-O, is being developed and refined to focus on facilitating outreach with students in K-12 schools. As MTS-O continues to be improved and revitalized, versions of it have already been used for group discussions with students in classrooms worldwide. Students using MTS-O can chat with scientists on NASA airborne missions while those scientists fly on the plane and collect data. During the pandemic, this tool was extremely beneficial as in-person classroom visits were not possible. As the tool continues to be refined and developed, we will summarize how it has been used and share its potential applications for the future.

Brenna Crawford Biggs↗

NASA NTRSDate not supplied

HRP Data Management Plan

The purpose of Human Research Program Data Management Plan (DMP) is to define the processes and activities required for the overall management of the research data collected and managed by HRP throughout their life cycle. New updates to the Data Management Plan in 2023 include 1. CAPABILITIES AND SERVICES Data Repositories. Principal Investigators (PIs) funded by HRP may be asked to submit data to one of several NASA data repositories. HRP archives data in the NASA Life Sciences Portal (NLSP) that it considers to be unique and high value. This includes data from human subjects in space flight (ISS and commercial flights) and ground analogs to spaceflight; spaceflight tech demos involving humans; human omics data including the microbiome; parabolic flight studies; and the NASA Space Radiation Laboratory (NSRL). The Open Science Data Repository (OSDR) includes The Ames Life Sciences Data Archive (ALSDA), used to archive non-human biological data (e.g., animal) generated by the Human Research program, and GeneLab, available to HRP PIs to archive non-human omics data. Catalog for search and retrieval. A catalog of non-human HRP life science experiments, with all associated descriptions (mission, payload, hardware, and personnel related information), and biospecimens is provided on the NLSP public web site for search and retrieval. 2. IRB ROLE IN RETURN OF INDIVIDUAL RESEARCH RESULTS The NASA IRB manages the process for incidental findings and for returning results to subjects for studies for which NASA IRB is the IRB of record. Omics data, especially genomics data, may generate information significant to the health of or risk to a research subject. These data potentially hold the keys to understand lifetime risks of chronic diseases, such as cancer, as well as risks associated with exposures common in space flight. 3. UPDATE OF TERMS – IDENTIFIABLE AND ATTRIBUTABLE DATA HRP now follows Federal and NASA policy by using “identifiable” instead of “attributable” for Personally Identifiable Information (PII). 4. POLICY ABOUT INTERNAL NON-RESEARCH USE OF DATA The HRP Chief Scientist grants access to data from HRP-funded research for non-research internal use that includes program management, customer facilitation, strategic planning, and risk research planning. Typical HRP personnel granted access to HRP research data for internal use include the Element Scientist, Subject Matter Experts (SME), and Data/bioinformatics Scientists. If data accessed for Internal Use is provided to an intramural or extramural scientist for hypothesis driven research, all Federal and NASA regulations (e.g., IRB review) regarding human subject research apply.

Data Management Plan↗

NASA NTRSDate not supplied

Astrobee: Five years of Completed, Current, and Future Research on the International Space Station using Free Flying Robots.

After five years on the International Space Station (ISS), the Astrobee Research Facility, has completed over 160 Test Sessions logging over 1200 hours of operations. Managed by the NASA ISS Program OZ office and supported by NASA Ames Research Center (ARC) in California, the Astrobee Team currently maintains two identical free-flying Astrobee robots and a Docking Station for research on the ISS. As a technology demonstration platform, the Astrobee Robots are available for Guest Scientists to use for a spectrum of research capabilities. Using ambient air on the ISS, propelled by battery-operated fans, Astrobee is designed to autonomously operate throughout most of the USOS (US Orbital Segment), with the objective of minimizing the need for astronaut support. Astrobee carries a suite of six cameras, a two degree-of-freedom (DOF) arm with a gripper that can grasp ISS handrails and other objects, and three payload bays that provide power and data for guest science hardware. Astrobee can autonomously execute hours-long flight plans or be tele-operated from the ground. While the Astrobee Team continues to improve mapping and autonomous flight capabilities, one of the main goals of Astrobee Robots is to provide research opportunities for Guest Scientists. The Astrobee Robot Software (ARS) makes extensive use of the open-source Robot Operating System (ROS). The ARS can be used interchangeably with an Astrobee Simulator or as Astrobee’s onboard software. ARS features include autonomous docking and perching, real-time teleoperations from the ground, plan based autonomous tasks, multi Astrobee communication, among other capabilities. Through simulation software and ground testing laboratories, the Astrobee Team is available to support Guest Scientists during development and testing and lead real-time ISS operations. The Astrobee Team and Guest Scientists have completed research including Astrobatics maneuvers, RFID and sound sensing capabilities, Gecko materials studies, student Robotics Programming Challenges, and Free Flyer formation flight investigations. Current science with the Astrobee Robots is investigating new docking capabilities through software only research as well as testing new docking hardware installed on the Astrobees. The Astrobee Team and other researchers at NASA Ames continue to explore robotics applications for future NASA missions such as Gateway and potential experiments involving human-robot interactions. Continued advanced mapping resolution capabilities, and high-resolution panoramic imagery also remains areas of research. Exciting in development research involves docking for rendezvous proximity operation (CLINGERS), multi resolution 3D scanning (MRS), space debris removal in microgravity (REACCH). This presentation will mainly focus on completed research over the past year and current science being performed on the Astrobees. This presentation will also focus on how a Guest Scientist/Researcher progresses from conception to running their science on the Astrobees on the ISS, as well as discuss the Astrobee Facility resources available for supporting ground testing and real-time ISS operations.

Astrobee↗

DOE OSTI2014

Tessera: Open source software for accelerated data science

Extracting useful, actionable information from data can be a formidable challenge for the safeguards, nonproliferation, and arms control verification communities. Data scientists are often on the “front-lines” of making sense of complex and large datasets. They require flexible tools that make it easy to rapidly reformat large datasets, interactively explore and visualize data, develop statistical algorithms, and validate their approaches—and they need to perform these activities with minimal lines of code. Existing commercial software solutions often lack extensibility and the flexibility required to address the nuances of the demanding and dynamic environments where data scientists work. To address this need, Pacific Northwest National Laboratory developed Tessera, an open source software suite designed to enable data scientists to interactively perform their craft at the terabyte scale. Tessera automatically manages the complicated tasks of distributed storage and computation, empowering data scientists to do what they do best: tackling critical research and mission objectives by deriving insight from data. We illustrate the use of Tessera with an example analysis of computer network data.

Sego, Landon H.↗

DOE OSTI2017

The 13th International Conference on Tetrapyrrole Photoreceptors of Photosynthetic Organisms (ICTPPO2017) program book

This program book serves as a technical report for the 13th International Conference on Tetrapyrrole Photoreceptors of Photosynthetic Organisms (ICTPPO2017), which took place in Chicago, July 9-13, 2017. This conference features eight scientific sessions that cover a wide range of topics on tetrapyrrole-based biological systems involved in light-harvesting, photosynthesis and their regulation. Each session starts with a plenary talk by a leading scientist in the field followed by 15-20 min short presentations. In terms of speaker selection, the organizers have placed special emphasis on featuring young scientists including early-career scientists, postdoc researchers and graduate students. All activities beyond oral presentations i.e. social events, meal times, poster sessions and excursion were planned to promote informal discussion and mentoring of young scientists.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2018

Surfacing Data Change in Scientific Work

Data are essential products of scientific work that move among and through research infrastructures over time. Data constantly changes due to evolving practices and knowledge, requiring improvisational work by scientists to determine the effects on analyses. Today for end users of datasets much of the information about changes, and the processes leading to them, is invisible -- embedded elsewhere in the work of a collaboration. Simultaneously scientists use increasing quantities of data, making ad hoc approaches to identifying change difficult to scale effectively. Our research investigates data change by examining how scientists make sense of change in datasets being created and sustained by the collaborative infrastructures they engage with. We examine two forms of change, before examining how trust and project rhythms influence a scientist's notion that the newest available data are the best. We explore the opportunity to design tools and practices to support user examinations of data change and surface key provenance information embedded in research infrastructures.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Meeting Report on the 3rd Chinese American Society for Mass Spectrometry Conference—Advancing Biological and Pharmaceutical Mass Spectrometry

Following the highly successful Chinese American Society for Mass Spectrometry (CASMS) conferences in the previous 2 years, the 3rd CASMS Conference was held virtually on August 28–31, 2023, using the Gather. Town platform to bring together scientists in the MS field. The conference offered a 4-day agenda with a scientific program consisting of two plenary lectures, and 14 parallel symposia in which a total of 70 speakers presented technological innovations and their applications in proteomics and biological MS and metabo-lipidomics and pharmaceutical MS. In addition, 16 invited speakers/panelists presented at two research-focused and three career development workshops. Moreover, 86 posters, 12 lightning talks, 3 sponsored workshops, and 11 exhibitions were presented, from which 9 poster awards and 2 lightning talk awards were selected. Furthermore, the conference featured four young investigator awardees to highlight early-career achievements in MS from our society. In conclusion, the conference provided a unique scientific platform for young scientists (i.e. graduate students, postdocs, and junior faculty/investigators) to present their research, meet with prominent scientists, learn about career development, and job opportunities (http://casms.org).

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

DOE OSTI2022

Science of the Van Allen Probes Science Operations Centers

The Van Allen Probes mission operations materialized through a distributed model in which operational responsibility was divided between the Mission Operations Center (MOC) and separate instrument specific SOCs. The sole MOC handled all aspects of telemetering and receiving tasks as well as certain scientifically relevant ancillary tasks. Each instrument science team developed individual instrument specific SOCs proficient in unique capabilities in support of science data acquisition, data processing, instrument performance, and tools for the instrument team scientists. In parallel activities, project scientists took on the task of providing a significant modeling tool base usable by the instrument science teams and the larger scientific community. With a mission as complex as Van Allen Probes, scientific inquiry occurred due to constant and significant collaboration between the SOCs and in concert with the project science team. Planned cross-instrument coordinated observations resulted in critical discoveries during the seven-year mission. Instrument cross-calibration activities elucidated a more seamless set of data products. Specific topics include post-launch changes and enhancements to the SOCs, discussion of coordination activities between the SOCs, SOC specific analysis software, modeling software provided by the Van Allen Probes project, and a section on lessons learned. One of the most significant lessons learned was the importance of the original decision to implement individual team SOCs providing timely and well-documented instrument data for the NASA Van Allen Probes Mission scientists and the larger magnetospheric and radiation belt scientific community.

47 OTHER INSTRUMENTATION↗

DOE OSTI2026

Mixed-precision numerics in scientific applications: survey and perspectives

The explosive demand for artificial intelligence (AI) workloads has led to a significant increase in silicon area dedicated to lower-precision computations on recent high-performance computing hardware designs. However, mixed-precision capabilities, which can achieve performance improvements of up to 8x compared to double-precision in extreme compute-intensive workloads, remain largely untapped in most scientific applications. A growing number of efforts have shown that mixed-precision algorithmic innovations can deliver superior performance without sacrificing accuracy. These developments should prompt computational scientists to seriously consider whether their scientific modeling and simulation applications could benefit from the acceleration offered by new hardware and mixed-precision algorithms. In this survey, we (1) review progress across diverse scientific domains—fluid dynamics, weather and climate, quantum chemistry, and computational genomics—that have begun adopting mixed-precision strategies; (2) examine state-of-the-art algorithmic techniques such as iterative refinement, splitting and emulation schemes, and adaptive precision solvers; (3) assess their implications for accuracy, performance, and resource utilization; and (4) survey the emerging software ecosystem that enables mixed-precision methods at scale. We conclude with perspectives and recommendations on cross-cutting opportunities, domain-specific challenges, and the role of co-design between application scientists, numerical analysts, and computer scientists. Collectively, this survey underscores that mixed-precision numerics can reshape computational science by aligning algorithms with the evolving landscape of hardware capabilities.

Graphics processing units↗

DOE OSTI2022

From Theory to Large-Scale Simulations, or Living Without “The Paradox of Choice”

Navigating the challenges we face at work and in life is often difficult, and can even make us question our past decisions. This dilemma is even worse nowadays because of the many options available to us, leaving us not enough time to explore them all: the paradox of choice. My life experience offers another perspective on how to make choices; wherein I had to rely more on serendipity, coincidence, and embracing risks. This paper presents a brief description of my career path in space science—from a small village in the countryside to one of the top science Laboratories in the world—and lessons learned through the process of becoming a more resilient scientist. I came to the United States from Bulgaria about 30 years ago, seeking a better education and job opportunities. Navigating a career of research scientist, not only did I find jobs that motivated me every day, I also met amazing people to work with along the way. As a woman in science, I hope my story can inspire and attract young researchers (girls and boys alike) to our community, helping to grow and diversify the next generation of space scientists.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2015

Exploring Two Approaches for an End-to-End Scientific Analysis Workflow

The advance of the scientific discovery process is accomplished by the integration of independently-developed programs run on disparate computing facilities into coherent workflows usable by scientists who are not experts in computing. For such advancement, we need a system which scientists can use to formulate analysis workflows, to integrate new components to these workflows, and to execute different components on resources that are best suited to run those components. In addition, we need to monitor the status of the workflow as components get scheduled and executed, and to access the intermediate and final output for visual exploration and analysis. Finally, it is important for scientists to be able to share their workflows with collaborators. Moreover we have explored two approaches for such an analysis framework for the Large Synoptic Survey Telescope (LSST) Dark Energy Science Collaboration (DESC), the first one is based on the use and extension of Galaxy, a web-based portal for biomedical research, and the second one is based on a programming language, Python. In our paper, we present a brief description of the two approaches, describe the kinds of extensions to the Galaxy system we have found necessary in order to support the wide variety of scientific analysis in the cosmology community, and discuss how similar efforts might be of benefit to the HEP community.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Simulating quantum materials with digital quantum computers

Quantum materials exhibit a wide array of exotic phenomena and practically useful properties. A better understanding of these materials can provide deeper insights into fundamental physics in the quantum realm as well as advance technology for entertainment, healthcare, and sustainability. The emergence of digital quantum computers (DQCs), which can efficiently perform quantum simulations that are otherwise intractable on classical computers, provides a promising path forward for testing and analyzing the remarkable, and often counter-intuitive, behavior of quantum materials. Equipped with these new tools, scientists from diverse domains are racing towards achieving physical quantum advantage (i.e., using a quantum computer to learn new physics with a computation that cannot feasibly be run on any classical computer). The aim of this review, therefore, is to provide a summary of progress made towards this goal that is accessible to scientists across the physical sciences. We will first review the available technology and algorithms, and detail the myriad ways to represent materials on quantum computers. Next, we will showcase the simulations that have been successfully performed on currently available DQCs, emphasizing the variety of properties, both static and dynamic, that can be studied with this nascent technology. Finally, we work through two examples of how to map a materials problem onto a DQC, with full code included in the Supplementary Material. It is our hope that this review can serve as an organized overview of progress in the field for domain experts and an accessible introduction to scientists in related fields interested in beginning to perform their own simulations of quantum materials on DQCs.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2015

Immersive visualization for materials science data analysis using the Oculus Rift

In this paper, we propose strategies and objectives for immersive data visualization with applications in materials science using the Oculus Rift virtual reality headset. We provide background on currently available analysis tools for neutron scattering data and other large-scale materials science projects. In the context of the current challenges facing scientists, we discuss immersive virtual reality visualization as a potentially powerful solution. We introduce a prototype immersive visualization system, developed in conjunction with materials scientists at the Spallation Neutron Source, which we have used to explore large crystal structures and neutron scattering data. Finally, we offer our perspective on the greatest challenges that must be addressed to build effective and intuitive virtual reality analysis tools that will be useful for scientists in a wide range of fields.

Drouhard, Margaret↗