Data Visualization In Molecular Science

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Data Visualization In Molecular Science

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Author : Jack E. Bowie
language : en
Publisher: Addison-Wesley Longman
Release Date : 1995

Data Visualization In Molecular Science written by Jack E. Bowie and has been published by Addison-Wesley Longman this book supported file pdf, txt, epub, kindle and other format this book has been release on 1995 with Computers categories.

This volume covers the main data visualization tools used in the molecular sciences, with each tool covered in a separate chapter. The tools covered include general purpose tools - AVS and Data Explorer and specialized tools - Autodesk's Hyperchem, Cray's Unichem and Biosym's Insight.

Data Visualization 99

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Author : Eduard Gröller
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06

Data Visualization 99 written by Eduard Gröller and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Computers categories.

In the past decade visualization established its importance both in scientific research and in real-world applications. In this book 21 research papers and 9 case studies report on the latest results in volume and flow visualization and information visualization. Thus it is a valuable source of information not only for researchers but also for practitioners developing or using visualization applications.

Machine Learning In Molecular Sciences

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Author : Chen Qu
language : en
Publisher: Springer Nature
Release Date : 2023-10-01

Machine Learning In Molecular Sciences written by Chen Qu and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-10-01 with Computers categories.

Machine learning and artificial intelligence have propelled research across various molecular science disciplines thanks to the rapid progress in computing hardware, algorithms, and data accumulation. This book presents recent machine learning applications in the broad research field of molecular sciences. Written by an international group of renowned experts, this edited volume covers both the machine learning methodologies and state-of-the-art machine learning applications in a wide range of topics in molecular sciences, from electronic structure theory to nuclear dynamics of small molecules, to the design and synthesis of large organic and biological molecules. This book is a valuable resource for researchers and students interested in applying machine learning in the research of molecular sciences.

Proceedings Of The Third Pacific Basin Conference On Adsorption Science And Technology Kyongju Korea May 25 29 2003

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Author : Chang-Ha Lee
language : en
Publisher: World Scientific
Release Date : 2003

Proceedings Of The Third Pacific Basin Conference On Adsorption Science And Technology Kyongju Korea May 25 29 2003 written by Chang-Ha Lee and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2003 with Science categories.

This book presents the latest research on adsorption science and technology. It serves as an excellent reference for research in areas such as fundamentals of adsorption and ion exchange (equilibria and kinetics), new materials, adsorption characterization, novel processes, energy and environmental processes. Readership: Engineers and researchers in adsorption and separation science; research students in chemical engineering and physical chemistry.

Holoviews In Scientific Data Visualization

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Author : Richard Johnson
language : en
Publisher: HiTeX Press
Release Date : 2025-05-29

Holoviews In Scientific Data Visualization written by Richard Johnson and has been published by HiTeX Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-05-29 with Computers categories.

"HoloViews in Scientific Data Visualization" "HoloViews in Scientific Data Visualization" is an expertly crafted guide that navigates the evolving landscape of scientific data visualization with a focus on clarity, reproducibility, and modern Python tooling. Beginning with the foundational role of visualization in scientific computing, the book explores the complexities of handling multidimensional, heterogeneous data and the imperative goals of scientific visual analytics, including exploration, confirmation, and transparent communication. It provides a comprehensive survey of both traditional platforms and emerging Python-based solutions, situating HoloViews within the broader ecosystem and emphasizing the crucial balance between interactivity and reproducibility in research. The heart of the book dives into the architecture and declarative paradigms that distinguish HoloViews from imperative plotting libraries, detailing its object model of elements, overlays, and layouts. Readers are guided through the seamless integration of data from arrays and dataframes, flexible customization, and the extensibility afforded by various plotting backends. Practical chapters dissect the building blocks of visualization—curves, heatmaps, vector fields, linked multi-plot layouts, and annotation strategies—while advanced sections provide actionable techniques for real-time streaming, cross-filtering, performance optimization, and interactive scientific dashboards that scale from desktop to web deployments. Rich in multidisciplinary case studies and best practices, this volume equips scientists, analysts, and developers with the tools to construct robust, reproducible, and publication-quality visualizations across domains. From handling high-density arrays and geospatial datasets to enabling seamless collaboration through version control, CI/CD, and adherence to open science standards, "HoloViews in Scientific Data Visualization" serves as a definitive reference for leveraging HoloViews to unlock deeper insight and foster innovation at the frontier of computational research.

Computational Chemistry Methodology In Structural Biology And Materials Sciences

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Author : Tanmoy Chakraborty
language : en
Publisher: CRC Press
Release Date : 2017-10-03

Computational Chemistry Methodology In Structural Biology And Materials Sciences written by Tanmoy Chakraborty and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-10-03 with Science categories.

Computational Chemistry Methodology in Structural Biology and Materials Sciences provides a selection of new research in theoretical and experimental chemistry, focusing on topics in the materials science and biological activity. Part 1, on Computational Chemistry Methodology in Biological Activity, of the book emphasizes presents new developments in the domain of theoretical and computational chemistry and its applications to bioactive molecules. It looks at various aspects of density functional theory and other issues. Part 2, on Computational Chemistry Methodology in Materials Science, presents informative new research on computational chemistry as applied to materials science. The wide range of topics regarding the application of theoretical and experimental chemistry and materials science and biological domain will be valuable in the context of addressing contemporary research problems.

The Aesthetics Of Scientific Data Representation

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Author : Lotte Philipsen
language : en
Publisher: Routledge
Release Date : 2017-08-22

The Aesthetics Of Scientific Data Representation written by Lotte Philipsen and has been published by Routledge this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-08-22 with Art categories.

How can cartoon images aid in understanding bacterial biological processes? What prompts physicists to blur their images before showing them to biologists? Considering that the astronomer’s data consists solely of invisible, electric impulses, what is the difference between representing outer space as images, graphs, or sound? How does a work of contemporary art differ from a scientific image if we cannot visually distinguish between the two? How do aesthetics, art, and design influence scientific visualization and vice versa? This volume asks critically important questions about scientific data representation and provides significant insights to a field that is interdisciplinary in its very core. The authors investigate scientific data representation through the joint optics of the humanities and natural sciences. The volume particularly appeals to scholars in visual and aesthetic studies, data visualization, scientific illustration, experience culture, information design, and science communication.

A Molecular Modeling Exploration Of Smectite Interlayers As Adsorption Sites For Inorganic And Organic Molecules

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Author : Rebecca Ann Sutton
language : en
Publisher:
Release Date : 2004

A Molecular Modeling Exploration Of Smectite Interlayers As Adsorption Sites For Inorganic And Organic Molecules written by Rebecca Ann Sutton and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2004 with categories.

Advances In Scientific Visualization

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Author : Frits H. Post
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06

Advances In Scientific Visualization written by Frits H. Post and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Computers categories.

Scientific visualization is a new and rapidly growing area in which efforts from computer graphics research and many scientific and engineering disciplines are integrated. Its aim is to enhance interpretation and understanding by scientists of large amounts of data from measurements or complex computer simulations, using computer generated images and animation sequences. It exploits the power of human visual perception to identify trends and structures, and recognize shapes and patterns. Development of new numerical simulation methods in many areas increasingly depends on visualization as an effective way to obtain an intuitive understanding of a problem. This book contains a selection of papers presented at the second Eurographics workshop on Visualization in Scientific Computing, held in Delft, the Netherlands, in April 1991. Theissues addressed are visualization tool and system design, new presentation techniques for volume data and vector fields, and numerous case studies in scientific visualization. Application areas include geology, medicine, fluid dynamics, molecular science, and environmental protection. The book will interest researchers and students in computer graphics and scientists from many disciplines interested in recent results in visual data analysis and presentation. It reflects the state of the art in visualization research and shows a wide variety of experimental systems and imaginative applications.

Fuzzy Logic In Chemistry

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Author : Dennis H. Rouvray
language : en
Publisher: Academic Press
Release Date : 1997-04-18

Fuzzy Logic In Chemistry written by Dennis H. Rouvray and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 1997-04-18 with Science categories.

Fuzzy Logic has gained increasing acceptance as a way to deal with complexity and uncertainty in many areas of science and engineering. This book is the first to address its practical applications to chemical systems. Ten distinguished authors discuss the role of fuzzy logic in the characterization of a variety of chemical concepts, including chirality, quantum systems, molecular engineering and design, and hierarchical classification methods. Fuzzy Logic in Chemistry will appeal to both students and professionals who are seeking to learn more about theory and applications in an area of growing importance to the physical sciences. - The first book on the applications of fuzzy logic in chemistry - Covers a topic relevant to many disciplines, including molecular design - Discusses applications of fuzzy logic to the physical sciences, a rapidly growing area - Features chapters from highly distinguished authors in the physical sciences