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At least 1,063 records · Page 59

Deep learning applications in visual data for benign and malignant hematologic conditions: a systematic review and visual glossary

Deep learning (DL) is a subdomain of artificial intelligence algorithms capable of automatically evaluating subtle graphical features to make highly accurate predictions, which was recently popularized in multiple imaging-related tasks. Because of its capabilities to analyze medical imaging such as radiology scans and digitized pathology specimens, DL has significant clinical potential as a diagnostic or prognostic tool. Coupled with rapidly increasing quantities of digital medical data, numerous novel research questions and clinical applications of DL within medicine have already been explored. Similarly, DL research and applications within hematology are rapidly emerging, although these are still largely in their infancy. Given the exponential rise of DL research for hematologic conditions, it is essential for the practising hematologist to be familiar with the broad concepts and pitfalls related to these new computational techniques. This narrative review provides a visual glossary for key deep learning principles, as well as a systematic review of published investigations within malignant and non-malignant hematologic conditions, organized by the different phases of clinical care. In order to assist the unfamiliar reader, this review highlights key portions of current literature and summarizes important considerations for the critical understanding of deep learning development and implementations in clinical practice.

60 APPLIED LIFE SCIENCES↗

Advanced boundary layer transition measurement methods for flight applications

In modern laminar flow flight research, it is important to understand the specific cause(s) of laminar to turbulent boundary-layer transition. Such information is crucial to the exploration of the limits of practical application of laminar flow for drag reduction on aircraft. The transition modes of interest in current flight investigations include the viscous Tollmien-Schlichting instability, the inflectional instability at laminar separation, and the crossflow inflectional instability, as well as others. This paper presents the results to date of research on advanced devices and methods used for the study of laminar boundary-layer transition phenomena in the flight environment. Recent advancements in the development of arrayed hot-film devices and of a new flow visualization method are discussed. Arrayed hot-film devices have been designed to detect the presence of laminar separation, and of crossflow vorticity. The advanced flow visualization method utilizes color changes in liquid-crystal coatings to detect boundary-layer transition at high altitude flight conditions. Flight and wind tunnel data are presented to illustrate the design and operation of these advanced methods. These new research tools provide information on disturbance growth and transition mode which is essential to furthering our understanding of practical design limits for applications of laminar flow technology.

Holmes, B. J.↗

BioSIGHT: Interactive Visualization Modules for Science Education

Redefining science education to harness emerging integrated media technologies with innovative pedagogical goals represents a unique challenge. The Integrated Media Systems Center (IMSC) is the only engineering research center in the area of multimedia and creative technologies sponsored by the National Science Foundation. The research program at IMSC is focused on developing advanced technologies that address human-computer interfaces, database management, and high-speed network capabilities. The BioSIGHT project at is a demonstration technology project in the area of education that seeks to address how such emerging multimedia technologies can make an impact on science education. The scope of this project will help solidify NASA's commitment for the development of innovative educational resources that promotes science literacy for our students and the general population as well. These issues must be addressed as NASA marches toward the goal of enabling human space exploration that requires an understanding of life sciences in space. The IMSC BioSIGHT lab was established with the purpose of developing a novel methodology that will map a high school biology curriculum into a series of interactive visualization modules that can be easily incorporated into a space biology curriculum. Fundamental concepts in general biology must be mastered in order to allow a better understanding and application for space biology. Interactive visualization is a powerful component that can capture the students' imagination, facilitate their assimilation of complex ideas, and help them develop integrated views of biology. These modules will augment the role of the teacher and will establish the value of student-centered interactivity, both in an individual setting as well as in a collaborative learning environment. Students will be able to interact with the content material, explore new challenges, and perform virtual laboratory simulations. The BioSIGHT effort is truly cross-disciplinary in nature and requires expertise from many areas including Biology, Computer Science Electrical Engineering, Education, and the Cognitive Sciences. The BioSIGHT team includes a scientific illustrator, educational software designer, computer programmers as well as IMSC graduate and undergraduate students.

Wong, Wee Ling↗

Advancing Comprehension of Quantum Application Outputs: A Visualization Technique

Noise in quantum computers presents a challenge for the users of quantum computing despite the rapid progress we have seen in the past few years in building quantum computers. Existing works have addressed the noise in quantum computers using a variety of mitigation techniques since error correction requires a large number of qubits which is infeasible at present. One of the consequences of quantum computing noise is that users are unable to reproduce similar output from the same quantum computer at different times, let alone from various quantum computers. In this work, we have made initial attempts to visualize quantum basis states for all the circuits that were used in quantum machine learning from various quantum computers and noise-free quantum simulators. We have opened up a pathway for further research into this field where we will be able to isolate noisy states from non-noisy states leading to efficient error mitigation. This is where our work provides an important step in the direction of efficient error mitigation. Our work also provides a ground for quantum noise visualization in the case of large numbers of qubits.

Senapati, Priyabrata↗

A new Mars radiation environment model with visualization

A new model for the radiation environment to be found on the planet Mars due to Galactic Cosmic Rays (OCR) has been developed at the NASA Langley Research Center. Solar modulated primary particles rescaled for Mars conditions are transported through the Martian atmosphere, with temporal properties modeled with variable timescales, down to the surface, with altitude and backscattering patterns taken into account. The Martian atmosphere has been modeled by using the Mars Global Reference Atmospheric Model--version 2001 (Mars-GRAM 2001). The altitude to compute the atmospheric thickness profile has been determined by using a model for the topography based on the data provided by the Mars Orbiter Laser Altimeter (MOLA) instrument on board the Mars Global Surveyor (MGS) spacecraft. The Mars surface composition has been modeled based on averages over the measurements obtained from orbiting spacecraft and at various landing sites, taking into account the possible volatile inventory (e.g., CO2 ice, H2O ice) along with its time variation throughout the Martian year. Particle transport has been performed with the HZETRN heavy ion code. The Mars Radiation Environment Model has been made available worldwide through the Space Ionizing Radiation Effects and Shielding Tools (SIREST) website, a project of NASA Langley Research Center. c2004 COSPAR. Published by Elsevier Ltd. All rights reserved.

NASA Center LaRC↗

Explore Earth Science Datasets for STEM with the NASA GES DISC Online Visualization and Analysis Tool, Giovanni

The NASA Goddard Earth Sciences (GES) Data and Information Services Center(DISC) is one of twelve NASA Science Mission Directorate (SMD) Data Centers that provide Earth science data, information, and services to users around the world including research and application scientists, students, citizen scientists, etc. The GESDISC is the home (archive) of remote sensing datasets for NASA Precipitation and Hydrology, Atmospheric Composition and Dynamics, etc. To facilitate Earth science data access, the GES DISC has been developing user-friendly data services for users at different levels in different countries. Among them, the Geospatial Interactive Online Visualization ANd aNalysis Infrastructure (Giovanni, http:giovanni.gsfc.nasa.gov) allows users to explore satellite-based datasets using sophisticated analyses and visualization without downloading data and software, which is particularly suitable for novices (such as students) to use NASA datasets in STEM (science, technology, engineering and mathematics) activities. In this presentation, we will briefly introduce Giovanni along with examples for STEM activities.

precipitation↗

Automated Management of Small Unmanned Aircraft System Communications and Navigation Contingency

The number of small Unmanned Aircraft System (sUAS) operating in the low-altitude of the National Airspace System (NAS) has been rapidly increasing in the past few years and this number is expected to grow in the future. However, aside from a few special cases, all sUAS must fly within visual line-of-sight (VLOS) of their operators and this limitation is blocking highly anticipated beyond visual line-of-sight (BVLOS) sUAS applications such as package delivery from practice. To enable routine low-altitude BVLOS operations, there needs to be a traffic management ecosystem that complements the FAA’s Air Traffic Management (ATM) system, which does not provide air traffic services under 400 feet above ground level (AGL). NASA has been pioneering research and development of this ecosystem under UAS Traffic Management (UTM) project since 2015 in a series of Technical Capability Levels (TCL) activities that are increasingly complex. In TCL1, completed in 2015, visual line-of-sight operations such as agriculture, firefighting, and infrastructure monitoring were addressed with a focus on geofencing and operations scheduling. Technologies and requirements needed for BVLOS operations in sparsely populated areas were examined in TCL2 in 2016, and those for operations over moderately populated areas in TCL3 in 2017 and 2018. TCL4 is building on the earlier TCLs and focuses on technologies and requirements for operations in higher-density urban areas for tasks such as newsgathering and package delivery and for managing large-scale contingencies. To coordinate and facilitate the incremental implementation of the UTM ecosystem in the NAS, a Research Transition Team (RTT) has been formed between the FAA, NASA, and industry. The RTT is divided into four subgroups, concept and use case development, data exchange and information architecture, sense and avoid, and communications and navigation (C&N). This paper focuses on C&N subgroup activities, in particular about the development of automated sUAS communications and navigation contingency management. The goal of this development is to prepare sUAS to display predictable behavior while handling C&N off-nominal events. It is expected that the adoption of the presented automated contingency management by the sUAS community will accommodate and inform rulemaking towards governing low-altitude BVLOS operations.

Unmanned Aviation System (UAS) Traffic Management↗

Automated Management of Small Unmanned Aircraft System (UAS) Communications and Navigation Contingency

The number of small Unmanned Aircraft System (sUAS) operating in the low-altitude of the National Airspace System (NAS) has been rapidly increasing in the past few years and this number is expected to grow in the future. However, aside from a few special cases, all sUAS must fly within visual line-of-sight (VLOS) of their operators and this limitation is blocking highly anticipated beyond visual line-of-sight (BVLOS) sUAS applications such as package delivery from practice. To enable routine low-altitude BVLOS operations, there needs to be a traffic management ecosystem that complements the FAA’s Air Traffic Management (ATM) system, which does not provide air traffic services under 400 feet above ground level (AGL). NASA has been pioneering research and development of this ecosystem under UAS Traffic Management (UTM) project since 2015 in a series of Technical Capability Levels (TCL) activities that are increasingly complex. In TCL1, completed in 2015, visual line-of-sight operations such as agriculture, firefighting, and infrastructure monitoring were addressed with a focus on geofencing and operations scheduling. Technologies and requirements needed for BVLOS operations in sparsely populated areas were examined in TCL2 in 2016, and those for operations over moderately populated areas in TCL3 in 2017 and 2018. TCL4 is building on the earlier TCLs and focuses on technologies and requirements for operations in higher-density urban areas for tasks such as newsgathering and package delivery and for managing large-scale contingencies. To coordinate and facilitate the incremental implementation of the UTM ecosystem in the NAS, a Research Transition Team (RTT) has been formed between the FAA, NASA, and industry. The RTT is divided into four subgroups, concept and use case development, data exchange and information architecture, sense and avoid, and communications and navigation (C&N). This paper focuses on C&N subgroup activities, in particular about the development of automated sUAS communications and navigation contingency management. The goal of this development is to prepare sUAS to display predictable behavior while handling C&N off-nominal events. It is expected that the adoption of the presented automated contingency management by the sUAS community will accommodate and inform rulemaking towards governing low-altitude BVLOS operations.

Unmanned Aviation Systems (UAS) Traffic Management↗

Representation and Integration of Scientific Information

The objective of this Joint Research Interchange with NASA-Ames was to investigate how the Tsimmis technology could be used to represent and integrate scientific information. The main goal of the Tsimmis project is to allow a decision maker to find information of interest from such sources, fuse it, and process it (e.g., summarize it, visualize it, discover trends). Another important goal is the easy incorporation of new sources, as well the ability to deal with sources whose structure or services evolve. During the Interchange we had research meetings approximately every month or two. The funds provided by NASA supported work that lead to the following two papers: Fusion Queries over Internet Databases; Efficient Query Subscription Processing in a Multicast Environment.

Source record↗

Visualization of a Capsule Entry Vehicle Reaction-Control System (RCS) Thruster

Planar laser-induced fluorescence (PLIF) was used to visualize the reaction control system (RCS) jet flow emanating from the aft-body of an Apollo-geometry capsule test article in the NASA Langley Research Center 31-Inch Mach 10 Air wind tunnel. The RCS jet was oriented normal to the aft surface of the model and had a nominal Mach number of 2.94. The composition of the jet gas by mass was 95% nitrogen (N2) and 5% nitric oxide (NO). The RCS jet flowrate varied between zero and 0.5 standard liters per minute and the angle of attack and tunnel stagnation pressure were also varied. PLIF was used to excite the NO molecules for flow visualization. These flow visualization images were processed to determine the trajectory and to quantify the flapping of the RCS jet. The spatial resolution of the jet trajectory measurement was about 1 mm and the single-shot precision of the measurement was estimated to be 0.02 mm in the far field of the jet plume. The jet flapping, measured by the standard deviation of the jet centerline position was as large as 0.9 mm, while the jet was 1.5-4 mm in diameter (full width at half maximum). Schlieren flow visualization images were obtained for comparison with the PLIF. Surface pressures were also measured and presented. Virtual Diagnostics Interface (VIDI) technology developed at NASA Langley was used to superimpose and visualize the data sets. The measurements demonstrate some of the capabilities of the PLIF method while providing a test case for computational fluid dynamics (CFD) validation.

Danehy, P. M.↗

Differences in Pre and Post Vascular Patterning Within Retinas from ISS Crew Members and Head-Down Tilt (HDT) Subjects by VESGEN Analysis

Accelerated research by NASA has investigated the significant risks incurred during long-duration missions in microgravity for Space Flight-Associated Neuro-ocular Syndrome (SANS, formerly known as Visual Impairments associated with Increased Intracranial Pressure, VIIP) [1]. For our study, NASA's VESsel GENeration Analysis (VESGEN) was used to investigate the role of retinal blood vessels in the etiology of SANS/VIIP. The response of retinal vessels to microgravity was evaluated in astronaut crew members pre and post flight to the International Space Station (ISS), and compared to the response of retinal vessels in healthy volunteers to 6deg head-down tilt during 70 days of bed rest (HDTBR). For the study, we are testing the hypothesis that long-term cephalad fluid shifts resulting in ocular and visual impairments are necessarily mediated in part by retinal blood vessels, and therefore are accompanied by structural adaptations of the vessels. METHODS: Vascular patterns in the retinas of crew members and HDTBR subjects extracted from 30deg infrared (IR) Heidelberg Spectralis images collected pre/postflight and pre/post HDTBR, respectively, were analyzed by VESGEN (patent pending). VESGEN is a mature, automated software developed as a research discovery tool for progressive vascular diseases in the retina and other tissues. The multi-parametric VESGEN analysis generates maps of branching arterial and venous trees quantified by parameters such as the fractal dimension (Df, a modern measure of vascular space-filling capacity), vessel diameters, and densities of vessel length and number classified into specific branching generations according to vascular physiological branching rules. The retrospective study approved by NASA's Institutional Review Board included the analysis of bilateral retinas in eight ISS crew members monitored by routine occupational surveillance and six HDTBR subjects (NASA FARU Campaign 11, for example). The VESGEN analysis was conducted in a blinded fashion, with IR retinal images masked to the subject's identity, ophthalmic and clinical characteristics, and to the temporal sequence of image collection. To complete our study, VESGEN results will be analyzed statistically and correlated with other ophthalmic and medical findings. RESULTS: Preliminary results for changes in the pre to post status of vascular patterning in the retinas of crew members and HDTBR subjects are interestingly opposite. By Df and other vascular branching measures, the space-filling capacity of arterial and venous trees decreased in the majority of crew members (11/16 retinas). In contrast, vascular densities increased in HDTBR subjects by the same parameters (6/10 retinas). To conclude the study, biostatistics and medical analyses will be conducted to quantify and draw conclusions about how the changes associated with flight compare to those associated with HDTBR. CONCLUSIONS: Vascular densities appeared to decrease in the retinas of ISS crew members and increase in HDTBR subjects. Differences in arterial and venous response to cephalad fluid shifts induced by ISS and HDTBR may have resulted from a long-duration conditioning phenomenon (for example, 6-month ISS missions compared to 70 days HDTBR), or the presence of gravity in HDTBR compared to microgravity on the ISS. In addition, increased and decreased vessel diameters for Crew Members and HDTBR, respectively, are subject to limits of im

Vascular↗

Applied high-speed imaging for the icing research program at NASA Lewis Research Center

The Icing Research Tunnel at NASA Lewis Research Center provides scientists a scaled, controlled environment to simulate natural icing events. The closed-loop, low speed, refrigerated wind tunnel offers the experimental capability to test for icing certification requirements, analytical model validation and calibration techniques, cloud physics instrumentation refinement, advanced ice protection systems, and rotorcraft icing methodology development. The test procedures for these objectives all require a high degree of visual documentation, both in real-time data acquisition and post-test image processing. Information is provided to scientific, technical, and industrial imaging specialists as well as to research personnel about the high-speed and conventional imaging systems will be on the recent ice protection technology program. Various imaging examples for some of the tests are presented. Additional imaging examples are available from the NASA Lewis Research Center's Photographic and Printing Branch.

Slater, Howard↗

Applied high-speed imaging for the icing research program at NASA Lewis Research Center

The Icing Research Tunnel at NASA Lewis Research Center provides scientists a scaled, controlled environment to simulate natural icing events. The closed-loop, low speed, refrigerated wind tunnel offers the experimental capability to test for icing certification requirements, analytical model validation and calibration techniques, cloud physics instrumentation refinement, advanced ice protection systems, and rotorcraft icing methodology development. The test procedures for these objectives all require a high degree of visual documentation, both in real-time data acquisition and post-test image processing. Information is provided to scientific, technical, and industrial imaging specialists as well as to research personnel about the high-speed and conventional imaging systems will be on the recent ice protection technology program. Various imaging examples for some of the tests are presented. Additional imaging examples are available from the NASA Lewis Research Center's Photographic and Printing Branch.

Slater, Howard↗

Hot gas ingestion characteristics and flow visualization of a vectored thrust STOVL concept

A 9.2 percent scale short takeoff and vertical landing (STOVL) hot gas ingestion model was designed and built by McDonnell Douglas Corporation (MCAIR) and tested in the NASA Lewis Research Center 9- by 15-Foot Low Speed Wind Tunnel (LSWT). Hot gas ingestion, the entrainment of heated engine exhaust into the inlet flow field, is a key development issue for advanced short takeoff and vertical landing aircraft. The Phase 1 test program, conducted by NASA Lewis and McDonnell Douglas Corporation, evaluated the hot ingestion phenomena and control techniques and Phase 2 test program which was conducted by NASA Lewis are both reported. The Phase 2 program was conducted at exhaust nozzles temperatures up to 1460 R and utilized a sheet laser system for flow visualization of the model flow field in and out of ground effects. Hot gas ingestion levels were measured for the several forward nozzle splay configurations and with flow control/lift improvement devices which reduced the hot gas ingestion. The model support system had four degrees of freedom, heated high pressure air for nozzle flow, and a suction system exhaust for inlet flow. The headwind (freestream) velocity for Phase 1 was varied from 8 to 90 kn, with primary data taken in the 8 to 23 kn headwind velocity range. Phase 2 headwind velocity varied from 10 to 23 kn. Results of both Phase 1 and 2 are presented. A description of the model, facility, a new model support system, and a sheet laser illumination system are also provided. Results are presented over a range of main landing gear height (model height) above the ground plane at a 10 kn headwind velocity. The results contain the compressor face pressure and temperature distortions, total pressure recovery, compressor face temperature rise, and the environmental effects of the hot gas. The environmental effects include the ground plane temperature and pressure distributions, model airframe heating, and the location of the ground flow separation. Results from the sheet laser flow visualization test are also shown.

Johns, Albert L.↗

NASA Global Satellite and Model Data Products and Services for Tropical Cyclone Research

The lack of observations over vast tropical oceans is a major challenge for tropical cyclone research. Satellite observations and model reanalysis data play an important role in filling these- gaps. Established in the mid-1980's, the Goddard Earth Sciences Data and Information Services Center (GES DISC), as one of the 12 NASA data centers, archives and distributes data from several Earth science disciplines such as precipitation, atmospheric dynamics, atmospheric composition, hydrology, including well-known NASA satellite missions (e.g. TRMM, GPM) and model assimilation projects (MERRA-2). Acquiring datasets suitable for tropical cyclone research in a large data archive is a challenge for many, especially for those who are not familiar with satellite or model data. Over the years, the GES DISC has developed user-friendly data services. For example, Giovanni is an online visualization and analysis tool, allowing users to visualize and analyze over 2000 satellite- and model-based variables with a Web browser, without downloading data and software. In this chapter, we will describe data and services at the GES DISC with emphasis on tropical cyclone research. We will also present two case studies and discuss future plans.

Liu, Zhong↗

Overview of NASARTI (NASA Radiation Track Image) Program: Highlights of the Model Improvement and the New Results

This presentation summarizes several years of research done by the co-authors developing the NASARTI (NASA Radiation Track Image) program and supporting it with scientific data. The goal of the program is to support NASA mission to achieve a safe space travel for humans despite the perils of space radiation. The program focuses on selected topics in radiation biology that were deemed important throughout this period of time, both for the NASA human space flight program and to academic radiation research. Besides scientific support to develop strategies protecting humans against an exposure to deep space radiation during space missions, and understanding health effects from space radiation on astronauts, other important ramifications of the ionizing radiation were studied with the applicability to greater human needs: understanding the origins of cancer, the impact on human genome, and the application of computer technology to biological research addressing the health of general population. The models under NASARTI project include: the general properties of ionizing radiation, such as particular track structure, the effects of radiation on human DNA, visualization and the statistical properties of DSBs (DNA double-strand breaks), DNA damage and repair pathways models and cell phenotypes, chromosomal aberrations, microscopy data analysis and the application to human tissue damage and cancer models. The development of the GUI and the interactive website, as deliverables to NASA operations teams and tools for a broader research community, is discussed. Most recent findings in the area of chromosomal aberrations and the application of the stochastic track structure are also presented.

Ponomarev, Artem L.↗

Evaluation of Low Cost, User-Centered Alerting Devices for the Mitigation of Flight Crew Spatial Disorientation

The National Aeronautics and Space Administration (NASA) is conducting research into technologies which have the potential to reduce flight crew Spatial Disorientation (SD). While flight deck technology has advanced rapidly over the past fifty (50) years, the reported occurrences of flight crew SD have not decreased. The Cost-Effective Devices for Alerting Research (CEDAR) effort has focused on the identification and development of low cost, user-centered alerting solutions for the purpose of mitigating the occurrence of flight crew SD. This effort seeks to evaluate both existing technologies as well as new and emerging technologies which have a viable path to implementation in commercial aviation within the next five (5) years. This research is intended to develop a proof-of-concept for real-time SD mitigation which could eventually be utilized to improve safety in future air transport operations. NASA has partnered with the United States Naval Aeromedical Research Unit in Dayton, OH (NAMRU-D) to conduct flight crew SD research utilizing their Disorientation Research Device (DRD), dubbed “The Kraken”. This high-tech simulator features never-before-seen capabilities for side-by-side commercial aviation flight crew SD research, and is capable of re-creating the forces necessary to induce SD illusions in a safe and repeatable manner. Prototype SD mitigation solutions were incorporated into this simulator for scenario-based testing and evaluation using airline pilots within a contextually representative operational environment. SD mitigation technology prototypes designed to provide haptic feedback for both alerting and guidance, as well as innovative visual and aural alerting displays were evaluated. In December 2014, as a result of analyzing eighteen (18) loss-of-control events, the Commercial Aviation Safety Team (CAST) recommended research into flight deck technologies that have potential to mitigate the problems and contributing factors that lead to flight crew loss of airplane state awareness (ASA) and conditions likely to produce SD. The aviation community (government, industry and academia) have been charged with conducting research into cost-effective, user-centered flight deck alerting systems to alert flight crews; especially for the two conditions that produced SD (sub-threshold rolls and the somatogravic illusion). Somatogravic illusions are defined as illusions in which “there is a false perception of attitude on exposure to a force vector that differs in direction and/or magnitude from the normal gravitational force”. The sub-threshold roll illusion (aka the “leans” illusion) is a false sensation of roll attitude. A prolonged roll of less than two degrees becomes physiologically imperceptible to the pilot, and can lead to an incorrect perception of aircraft orientation. The sub-threshold roll illusion forms the entry point for the “graveyard spiral”, a maneuver in which the pilot’s corrective action (based on their false perception of aircraft orientation) causes the aircraft to spiral down into the ground. In both of these SD illusions, it is when the pilot attempts to correct the aircraft’s attitude (based on a false perception of its state) that problems arise, sometimes with lethal consequences.

Ronald J Daiker↗

I ntera C hem : Exploring Excited States in Virtual Reality with Ab Initio Interactive Molecular Dynamics

InteraChem is an ab initio interactive molecular dynamics (AI-IMD) visualizer that leverages recent advances in virtual reality hardware and software, as well as the graphical processing unit (GPU)-accelerated TeraChem electronic structure package, in order to render quantum chemistry in real time. We introduce the exploration of electronically excited states via AI-IMD using the floating occupation molecular orbital-complete active space configuration interaction method. The optimization tools in InteraChem enable identification of excited state minima as well as minimum energy conical intersections for further characterization of excited state chemistry in small- to medium-sized systems. We demonstrate that finite-temperature Hartree–Fock theory is an efficient method to perform ground state AI-IMD. InteraChem allows users to track electronic properties such as molecular orbitals and bond order in real time, resulting in an interactive visualization tool that aids in the interpretation of excited state chemistry data and makes quantum chemistry more accessible for both research and educational purposes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗