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IEEE Nuclear Science Symposium and Medical Imaging Conference (NSS/MIC) / 24th International Symposium on Room-Temperature Semiconductor X-Ray and Gamma-Ray Detectors

作者： Ovtchinnikov, Evgueni Atkinson, David Kolbitsch, Christoph Thomas, Benjamin A. Bertolli, Ottavia da Costa-Luis, Casper O. Efthimiou, Nikolaos Fowler, Ronald Pasca, Edoardo Wadhwa, Palak Emond, Elise Matthews, Julian Prieto, Claudia Reader, Andrew J. Tsoumpas, Charalampos Turner, Martin Thielemans, Kris Rutherford Appleton Lab Sci & Technol Facil Council Visual Analyt & Imaging Syst Grp Chilton England UCL Ctr Med Imaging London England PTB Braunschweig Germany PTB Berlin Germany UCL Inst Nucl Med London England Kings Coll London Sch Biomed Engn & Imaging Sci London England Univ Hull Sch Biol Biomed & Environm Sci Kingston Upon Hull N Humberside England Univ Leeds Div Biomed Imaging Leeds W Yorkshire England Imanova Ltd London England MAHSC Univ Manchester Div Informat Imaging & Data Sci Manchester Lancs England Kings Coll London Dept Biomed Engn London England

ISBN: (纸本)9781538622827

The combination of positron emission tomography (PET) with magnetic resonance (MR) imaging opens the way to more accurate diagnosis and improved patient management. At present, the data acquired by PET and MR scanners are essentially processed separately, and the search for ways to improve accuracy of the tomographic reconstruction via synergy of the two imaging techniques is an active area of research. The aim of the collaborative computational project on PET and MR (CCP-PETMR), supported by the UK engineering and physical sciences research council (EPSRC), is to accelerate research in synergistic PET-MR image reconstruction by providing an open access software platform for efficient implementation and validation of novel reconstruction algorithms. In this paper, we present the first release of the Synergistic Image Reconstruction Framework (SIRF) software suite from the CCP-PETMR. SIRF provides user-friendly Python and MATLAB interfaces to advanced PET and MR reconstruction packages written in C++ (currently this uses STIR, Software for Tomographic Image Reconstruction, for PET and Gadgetron for MR, but SIRE will be able to link to other reconstruction engines in the future as appropriate). The software is capable of reconstructing images from real scanner data. Both of the available integrated clinical PET-MR systems (Siemens and GE) are being targeted, and a suitable data format exchange is being negotiated with the manufacturers.

关键词： Positron Emission Tomography Magnetic Resonance Imaging Research Software Engineering scientific programming

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Harnessing the VQE to simulate quantum chemistry in an undergraduate project: Properties of Hydrogen, Oxygen and Water Molecules 4

Harnessing the VQE to simulate quantum chemistry in an under...

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4th IEEE International Conference on Quantum Computing and Engineering (QCE) / IEEE Quantum Week / 2nd IEEE Quantum Science and Engineering Education Conference (QSEEC)

作者： Mohtashim, Shah Ishmam Mahatabuddin, Sheikh Jabbar, Md. Abdul Univ Dhaka Dept Chem Dhaka Bangladesh Bangladesh Atom Energy Regulatory Author Dhaka Bangladesh

ISBN: (纸本)9798350343236

With the advent of convenient toolkits like Qiskit now allowing for the simulation of quantum information processing architectures from the ground up, it has now become likelier than ever to consider the possibility of widely adopting quantum computational methods towards research-led teaching of techniques in undergraduate-level quantum chemistry. To that end, we show how elementary formulations of the Variational Quantum Eigensolver (VQE) can be harnessed for computing key chemical properties of molecules, namely their ground states, excited states, dissociation energies, and the Potential Energy Surface. We conclude with a discussion of the potential for adopting our methods towards both the dissemination of wider applications of quantum mechanics and the teaching of quantum computational methods for scientific computing in undergraduate curricula for STEM, and beyond.

关键词： Quantum Chemistry Simulation Undergraduate level scientific programming

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The Next 700 Unit of Measurement Checkers 11

The Next 700 Unit of Measurement Checkers

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11th ACM SIGPLAN International Conference on Software Language Engineering (SLE) part of SPLASH Conference

作者： Bennich-Bjorkman, Oscar McKeever, Steve Uppsala Univ Dept Informat & Media Uppsala Sweden

ISBN: (纸本)9781450360296

In scientific applications, physical quantities and units of measurement are used regularly. If the inherent incompatibility between these units is not handled properly it can lead to major, sometimes catastrophic, problems. Although the risk of a miscalculation is high and the cost equally so, almost none of the major programming languages has support for physical quantities. Instead, scientific code developers often make their own tools or rely on external libraries to help them spot or prevent these mistakes. We employed a systematic approach to examine and analyse all available physical quantity open-source libraries. Approximately 3700 search results across seven repository hosting sites were condensed into a list of 82 of the most comprehensive and well-developed libraries currently available. In this group, 30 different programming languages are represented. Out of these 82 libraries, 38 have been updated within the last two years. These 38 are summarised in this paper as they are deemed the most relevant. The conclusion we draw from these results is that there is clearly too much diversity, duplicated efforts, and a lack of code sharing and harmonisation which discourages use and adoption.

关键词： Physical quantities libraries units of measurement open-source scientific programming

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AstroKAT and the MeerKAT observation framework 8

AstroKAT and the MeerKAT observation framework

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Conference on Observatory Operations - Strategies, Processes, and Systems VIII

作者： Van Rooyen, Ruby Joubert, Anton Wu, Xinyu Schwartz, Rohan Serylak, Maciej Maartens, Deneys South African Radio Astron Observ 2 Fir StBlack River Pk ZA-7925 Cape Town South Africa Southern African Large Telescope Observ Rd ZA-7925 Observatory South Africa South African Astron Observ Observ Rd ZA-7925 Observatory South Africa

ISBN: (纸本)9781510636866

The new scientific discoveries that will be made by MeerKAT are both exciting and unknown. However, it is precisely the unknown that carries the most risk, and requires scientific software development strategies to help mitigate these risks. Additionally, MeerKAT, like other large telescopes, is a complex instrument that entered a phase of parallel science-observation/engineering-development soon after initial commissioning. This adds to the burden of the observational software development, requiring not only scientific observations, but also engineering support. All of which must be achieved in a robust implementation that can be rapidly updated with minimal programming, remain maintainable and evolve seamlessly without interrupting the telescope science operations. Through an evolutionary process, starting with the KAT-7 prototype, modular software libraries have been developed for MeerKAT, making it easy to implement the higher level AstroKAT observation framework to accommodate the MeerKAT operational needs. This modular implementation enabled AstroKAT to support both science and engineering observations transparently, by extending the operational code base to adapt functionality depending on the system-level libraries it finds available. The result of this is a single, configurable, software implementation that can be used all the way from the observation planning phase up to executing observation scripts on the MeerKAT telescope live system.

关键词： MeerKAT scientific programming software engineering telescope operations

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How We Successfully Adapted Agile for a Research-Heavy Engineering Software Team

How We Successfully Adapted Agile for a Research-Heavy Engin...

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Agile Conference

作者： Lorber, Alfred A. Mish, Kyran D. Sandia Natl Labs Albuquerque NM 87185 USA

ISBN: (纸本)9780769550763

In our development team at Sandia National Laboratories we have honed our Scrum processes to where we continually deliver high-performance engineering analysis software to our customers. We deliver despite non-ideal circumstances, including development work that can be categorized as exploratory research, regular use of part-time developers, team size that varies widely among Sprints, highly specialized technical skill sets and a broad range of deliverables. We believe our methodologies can be applied to many research-oriented environments such as those found in government laboratories, academic institutions and corporate research facilities. Our goal is to increase the adoption of Lean/Agile project management in these environments by sharing our experiences with those research-oriented development teams who are considering using Lean/Agile, or have started and are encountering problems. In this paper we discuss how we create and prioritize our product backlog, write our user stories, calculate our capacity, plan our Sprints, report our results and communicate our progress to customers. By providing guidance and evidence of success in these areas we hope to overcome real and perceived obstacles that may limit the adoption of Lean/Agile techniques in research-oriented development environments.

关键词： Agile Scrum research scientific programming engineering analysis software

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scientific Python for Both Expert and Novice Programmers

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Computing in Science and Engineering 2012年第2期14卷 6-7页

作者： Small, Alex Department of Physics and Astronomy California State Polytechnic University Pomona USA

This column provides a review of an introductory book on the use of Python for scientific programming.

关键词： Python scientific programming scientific Computing Computational Science

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MULTIVERSE: A NOVEL HIGH-PERFORMANCE ASTRODYNAMIC TOOL IN JULIA 74

MULTIVERSE: A NOVEL HIGH-PERFORMANCE ASTRODYNAMIC TOOL IN JU...

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74th International Astronautical Congress, IAC 2023

作者： Ceresoli, Michele Pasquale, Andrea Lavagna, Michèle Dipartimento di Scienze e Tecnologie Aerospaziali Politecnico di Milano Italy

Modern-day astrodynamic analyses often require designing trajectories in complex environments that are subject to a wide range of non-linear constraints. However, the non-analytical nature of these chaotic systems together with the large solution space requires algorithms and tools of ever-growing complexity. To tackle this problem, most software are designed to exploit a two-language approach, which leverages a dynamic and interactive language to offer a user-friendly interface and a statically typed language for the performance-critical algorithms. Despite leading to better performances than a mere dynamic language, this design pattern introduces further complexities, mainly related to the extensibility and maintainability of the software. For these reasons, this paper presents ***, a novel open-source astrodynamic framework that enables efficient and parallelizable trajectory design. Drafted as a full-featured collection of Julia packages, its core libraries offer ready-to-use and validated high-fidelity environment representations, high-precision time conversions, and key astronomy algorithms. In particular, by extensively using meta-programming and multiple dispatch, Multiverse allows to automatically generate a simulation environment tailored to the user's needs with limitless combinations of ready-made and custom models. Among its features, the package also provides native and thread-safe access to binary ephemeris kernels, enabling automatic differentiation on all its components. Starting from the package design requirements and principles, the paper will present the entire development process together with the package architecture and functionalities. Additionally, extensive benchmarks against state-of-the-art libraries such as SPICE and GODOT are reported to highlight the benefits it could provide to the astrodynamic community. Copyright © 2023 by the International Astronautical Federation (IAF). All rights reserved.

关键词： Computational Astrodynamic Julia programming Open-source Software scientific programming

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MATLAB Doesn't Love Me: An Essay 20

MATLAB Doesn't Love Me: An Essay

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4th International Conference on the Art Science and Engineering of programming

作者： van der Storm, Tijs Bakker, Geor Ctr Wiskunde & Informat Amsterdam Netherlands Univ Groningen Groningen Netherlands Sosei Heptares Cambridge England

ISBN: (纸本)9781450375078

programming is everywhere, and is becoming an increasingly essential component of knowledge work outside the realms of traditional software development. Examples include data journalism, scientific computing, machine control, machine learning, financial management, and others. A key aspect of this trend is that users have to use programming tools, but typically lack programming education, let alone a computer science background. In this short paper we revisit potential assumptions and preconceptions underlying traditional programming system design, from the perspective of practicing scientists using tools like MATLAB, R, Bash, Python, C++, and others. Specifically, we aim to peel off some ingrained assumptions that have informed programming language and system design for decades. Without giving a lot of answers, we hope some of our contrarian observations may turn out to be controversial, and stimulate a meaningful discussion towards a better programmer experience in the domain of science.

关键词： End-user programming scientific programming language design programmer experience

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Control and Creativity

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COMPUTING IN SCIENCE & ENGINEERING 2014年第4期16卷 96-96页

作者： Day, Charles Amer Inst Phys College Pk MD 20740 USA

Could a new app-programming language boost the appeal of computer science to the next generation?

关键词： programming Computer Languages Computer Applications Creativity scientific Computing BASIC Apple Swift Computer programming scientific programming Gender Gap

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ULTRACOMPUTERS - A TERAFLOP BEFORE ITS TIME

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COMMUNICATIONS OF THE ACM 1992年第8期35卷 26-47页

作者： BELL, G 450 Old Oak Court Los Altos CA

In 1989 the author projected that supercomputers would reach a teraflop by 1995 using either a SIMD or multicomputer approach, but neglected to mention the price. By mid-1992, scalable multicomputers have improved by a factor of 5 to 10 to reach 100 ± 20 Gflops at a supercomputer price level, and the SIMD approach was dropped. Scalable multicomputers also break through the $30 million supercomputer barrier to create a teraflop ultracomputer ($50 to 400 million), and are not recommended buys. In 1995 semiconductor gains should increase performance by a factor of four and competition should reduce the price a factor of two to supercomputer levels. Multiprocessors have been the mainline of computing because they are general-purpose and can handle a variety of applications from transaction-purpose and can handle a variety of applications from transaction-processing to time-sharing, that are highly sequential to highly parallel. Important gains in parallelism have come from software environments that allow networks of computers to be applied to a single job. INSET: Role of Computer and Computational Science..

关键词： GOVERNMENT POLICY PARALLEL PROCESSING scientific programming

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