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Record Nr. |
UNINA9911101656503321 |
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Titolo |
Impact of advances in computing and communications technologies on chemical science and technology : report of a workshop / / Chemical Sciences Roundtable, Board on Chemical Sciences and Technology, Commission on Physical Sciences, Mathematics, and Applications, National Research Council |
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Pubbl/distr/stampa |
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Washington, D.C., : National Academy Press, c1999 |
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ISBN |
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0-309-18402-9 |
1-280-21033-8 |
9786610210336 |
0-309-59707-2 |
0-585-13601-7 |
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Edizione |
[1st ed.] |
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Descrizione fisica |
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1 online resource (235 p.) |
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Collana |
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Disciplina |
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Soggetti |
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Chemistry - Data processing |
Chemistry, Technical - Data processing |
Communication in chemistry - Technological innovations |
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Lingua di pubblicazione |
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Formato |
Materiale a stampa |
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Livello bibliografico |
Monografia |
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Note generali |
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Papers from a workshop held Nov. 1-2, 1998, in Washington, D.C. |
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Nota di bibliografia |
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Includes bibliographical references. |
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Nota di contenuto |
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Impact of Advances in Computing and Communications Technologies on Chemical Science and Technology -- Copyright -- Preface -- Acknowledgment of Reviewers -- Contents -- Summary -- WHITHER COMPUTING AND COMMUNICATIONS TECHNOLOGIES IN CHEMICAL SCIENCE AND TECHNOLOGY? -- COMPUTATIONAL MODELING AND SIMULATION IN CHEMICAL SCIENCE AND TECHNOLOGY -- REMOTE COLLABORATION AND INSTRUMENTS ONLINE -- CHEMICAL INFORMATION ONLINE -- 1 The Accelerated Strategic Computing Initiative -- ASCI'S NEED FOR ADVANCED SIMULATION CAPABILITY -- The Challenges -- Where Are We Now? -- Accelerating Technology Developments -- Simulation Development Environment -- THE CHALLENGES AHEAD -- Archival Storage Systems and Data Management -- Input/Output -- Networks -- Data Analysis and Visualization -- Scientific Simulation Software -- Computer Systems |
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Software -- THE ASCI ALLIANCES -- ASCI'S CONTRIBUTIONS TO THE GREATER SCIENCE COMMUNITY -- SUMMARY -- DISCUSSION -- 2 Software Development for Computational Chemistry: Does Anything Remain to Be Done? -- DISCUSSION -- 3 Recent Advances in Computational Thermochemistry and Challenges for the Future -- INTRODUCTION -- CURRENT STATE OF THE ART IN COMPUTATIONAL THERMOCHEMISTRY -- GAUSSIAN-N THEORY -- FUTURE OUTLOOK -- SUMMARY -- DISCUSSION -- Session 1 Panel Discussion -- 4 The Role of Computational Biology in the Genomics Revolution -- ABSTRACT -- INTRODUCTION -- PREDICTION OF PROTEIN STRUCTURE FROM SEQUENCE -- Description of Ab Initio Protein Folding Methodology -- Validation on Proteins of Known Structure -- Blind Predictions -- STRUCTURE TO FUNCTION -- Limitations of Sequence-based Methods -- Similarity of Global Tertiary Structure Does Not Always Imply Similarity of Function -- Proteins with Similar Function Conserve the Local Structure Around the Active Site, Even If the Glob. |
Development of a Three-dimensional Library of Functional Motifs -- Representative Case: The Glutaredoxin/Thioredoxin Family -- Overview -- Ability of the FFF to Identify the Active Site in Experimentally Determined Structures -- Application of the FFF to Predicted Structures -- Screening of Entire Genomes -- COMPUTATIONAL REQUIREMENTS FOR GENOME SCALE STRUCTURE/FUNCTION PREDICTION -- OUTLOOK FOR THE FUTURE -- SUMMARY -- Literature Cited -- DISCUSSION -- 5 Needs and New Directions in Computing for the Chemical Process Industries -- BACKGROUND AND FACTORS DRIVING THE CHEMICAL INDUSTRY -- PROCESS SIMULATION NEEDS OF THE CPI -- AN OVERVIEW OF CURRENT SIMULATION PROGRAMS -- THE EUROPEAN CAPE OPEN PROJECT -- PROCESS CONTROL IN THE CPI -- CONCLUSIONS -- DISCUSSION -- 6 Vision 2020: Computational Needs of the Chemical Industry -- INTRODUCTION -- PROCESS ENGINEERING IN 2020 -- COMPUTATIONAL CHEMISTRY AND MOLECULAR MODELING -- PROCESS CONTROL AND INSTRUMENTATION -- Process Measurement and Control Workshop -- Chemical Instrumentation -- PROCESS OPERATIONS -- PRESENT STATUS -- CHALLENGES -- Session 2 Panel Discussion -- 7 Collaboratory Life: Challenges of Internet-mediated Science for Chemists -- ABSTRACT -- COLLABORATORY LIFE: CHALLENGES OF INTERNET-MEDIATED SCIENCE FOR CHEMISTS -- WHERE DO WE COME FROM? -- WHAT ARE WE? -- WHERE ARE WE GOING? -- The Collaboratory Concept -- Chemistry on the Internet -- The Value of Collaboratories -- Free Flow of Information -- Participatory Education -- CONCLUSION -- ACKNOWLEDGMENTS -- 8 A Computer Science Perspective on Computing for the Chemical Sciences -- DISCUSSION -- 9 Collaboratories: Building Electronic Scientific Communities -- ABSTRACT -- INTRODUCTION -- OPPORTUNITIES FOR COLLABORATORIES -- EXAMPLES OF COLLABORATORIES -- TOOLS FOR COLLABORATION -- Electronic Laboratory Notebooks -- Real-Time Interactions. |
IMPACTS OF COLLABORATORIES -- THE PROMISE OF COLLABORATORIES -- CONCLUSION -- ACKNOWLEDGMENTS -- DISCUSSION -- 10 The World Wide Laboratory: Remote and Automated Access to Imaging Instrumentation -- INTRODUCTION -- WWL: CURRENT IMPLEMENTATIONS FOR SERVICE, COLLABORATION, AND EDUCATION -- Remote Access to TEM -- Remote Access to MRI -- Chickscope: A K-12 Education Project Using Remote MRI -- REMOTE INSTRUMENTATION FOR SERVICE, COLLABORATION, AND EDUCATION: LESSONS LEARNED -- User Interface -- Modes of Collaboration -- WWL: Current Implementations for Research -- Automated/Intelligent Control for Scientific Research -- REMOTE INSTRUMENTATION FOR SCIENTIFIC |
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RESEARCH: LESSONS LEARNED -- CONCLUSIONS -- ACKNOWLEDGMENTS -- DISCUSSION -- 11 The Wired Laboratory -- HOW HAVE ADVANCES IN COMPUTING TECHNOLOGY HELPED WITH EFFICIENCY IN THE ANALYTICAL CHEMISTRY LABORATORY? -- EXAMPLES FROM A WIRED LABORATORY -- Quantum-Model of an Integrated Spectroscopy Information System -- Walk-up Spectroscopy Laboratory-Instruments Online -- Electronic Information and Knowledge Management -- WIMS-Web-based Information Management System -- The Electronic Laboratory Notebook -- THE FUTURE -- Information Management -- Data Analysis and Instrumentation -- SUMMARY -- CONTRIBUTORS -- DISCUSSION -- Session 3 Panel Discussion -- 12 Chemical Data in the "Internet Age -- INTRODUCTION -- DATA NEEDS -- TYPES OF DATA RESOURCES -- PROBLEMS IN PROVIDING DATA -- DATA RESOURCES CURRENTLY AVAILABLE -- Beilstein Database -- DIPPR Project -- The NIST Chemistry WebBook -- USER DEMAND FOR DATA -- WHAT IS NEEDED -- DISCUSSION -- 13 The Digital Library: An Integrated System for Scholarly Communication -- CRISIS IN SCHOLARLY COMMUNICATION -- SOLUTIONS AND STRATEGIES -- THE CALIFORNIA DIGITAL LIBRARY -- ALTERNATIVE FORMS OF SCHOLARLY COMMUNICATION -- CONCLUSION -- DISCUSSION. |
14 Electronic Journal Publishing at the American Chemical Society -- GROWTH OF SCIENTIFIC LITERATURE -- FINANCIAL CONSIDERATIONS -- CHRONOLOGY OF ACS ELECTRONIC JOURNAL DEVELOPMENT -- WHAT CUSTOMERS WANT IN ELECTRONIC JOURNALS -- THE ADVENT OF ELECTRONIC PUBLISHING -- TRANSFORMATION FROM PRINT TO ELECTRONIC PUBLISHING -- DISCUSSION -- Session 4 Panel Discussion -- Appendixes -- Appendix A List of Workshop Participants -- Staff -- Appendix B Origin of and Information on the Chemical Sciences Roundtable. |
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Sommario/riassunto |
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The Chemical Sciences Roundtable provides a forum for discussing chemically related issues affecting government, industry and government. The goal is to strengthen the chemical sciences by foster communication among all the important stakeholders. At a recent Roundtable meeting, information technology was identified as an issue of increasing importance to all sectors of the chemical enterprise. This book is the result of a workshop convened to explore this topic. |
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2. |
Record Nr. |
UNINA9911154914203321 |
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Autore |
Yilmaz Murat |
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Titolo |
Systems, Software and Services Process Improvement and Innovation : 33rd European Conference, EuroSPI 2026, Cairo, Egypt, September 8–10, 2026, Proceedings, Part II / / edited by Murat Yilmaz, Paul Clarke, Andreas Riel, Richard Messnarz, Ahmed Gomaa Ahmed Radwan, Samer Sameh |
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Pubbl/distr/stampa |
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Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2027 |
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ISBN |
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Edizione |
[1st ed. 2027.] |
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Descrizione fisica |
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1 online resource (462 pages) |
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Collana |
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Communications in Computer and Information Science, , 1865-0937 ; ; 3137 |
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Disciplina |
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Soggetti |
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Electronic data processing - Management |
Software engineering |
Application software |
Computer networks |
Computer systems |
Artificial intelligence |
IT Operations |
Software Engineering |
Computer and Information Systems Applications |
Computer Communication Networks |
Computer System Implementation |
Artificial Intelligence |
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Lingua di pubblicazione |
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Formato |
Materiale a stampa |
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Livello bibliografico |
Monografia |
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Nota di contenuto |
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-- SPI and Standards and Safety and Security Norms. -- How can AI enhance the development process in the automotive domain. -- How can AI help support the assessment process. -- Expert Review of a Process Assessment Model for AI-enabled Healthcare Software. -- Crossing Industry Boundaries: A Case Study on Enhancing Medical Devices Software Development Using Automotive SPICE® Practices. -- Working with data Let’s just take some data and start. |
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Sommario/riassunto |
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This two-volume set CCIS 3136-3137 constitutes the refereed proceedings of the 33rd European Conference on Systems, Software and Services Process Improvement and Innovation, EuroSPI 2026, held in Cairo, Egypt, during September 8–10, 2026. The 42 full papers included in these volumes were carefully reviewed and selected from 60 submissions. They are organized into the following topical sections: Part I: Digitalisation of Industry, Infrastructure and E-Mobility; High Maturity Organisations; Innovation and Sustainability ; SPI and Functional Safety and Cybersecurity. Part II: SPI and Standards and Safety and Security Norms; Emerging and Multidisciplinary Approaches to Software Engineering. . |
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