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Author: Elena Bichoutskaia
Publisher: Royal Society of Chemistry
ISBN: 184973268X
Category : Science
Languages : en
Pages : 445
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Book Description
Nanoscience is one of the most exciting areas of modern physical science as it encompasses a range of techniques rather than a single discipline. It stretches across the whole spectrum of science including: medicine and health, physics, engineering and chemistry. Providing a deep understanding of the behaviour of matter at the scale of individual atoms and molecules, it provides a crucial step towards future applications of nanotechnology. The remarkable improvements in both theoretical methods and computational techniques make it possible for modern computational nanoscience to achieve a new level of chemical accuracy. It is now a discipline capable of leading and guiding experimental efforts rather than just following others. Computational Nanoscience addresses modern challenges in computational science, within the context of the rapidly evolving field of nanotechnology. It satisfies the need for a comprehensive, yet concise and up-to-date, survey of new developments and applications presented by the world's leading academics. It documents major, recent advances in scientific computation, mathematical models and theory development that specifically target the applications in nanotechnology. Suitable for theoreticians, researchers and students, the book shows readers what computational nanoscience can achieve, and how it may be applied in their own work. The twelve chapters cover topics including the concepts behind recent breakthroughs, the development of cutting edge simulation tools, and the variety of new applications.
Author: Elena Bichoutskaia
Publisher: Royal Society of Chemistry
ISBN: 184973268X
Category : Science
Languages : en
Pages : 445
Get Book Here
Book Description
Nanoscience is one of the most exciting areas of modern physical science as it encompasses a range of techniques rather than a single discipline. It stretches across the whole spectrum of science including: medicine and health, physics, engineering and chemistry. Providing a deep understanding of the behaviour of matter at the scale of individual atoms and molecules, it provides a crucial step towards future applications of nanotechnology. The remarkable improvements in both theoretical methods and computational techniques make it possible for modern computational nanoscience to achieve a new level of chemical accuracy. It is now a discipline capable of leading and guiding experimental efforts rather than just following others. Computational Nanoscience addresses modern challenges in computational science, within the context of the rapidly evolving field of nanotechnology. It satisfies the need for a comprehensive, yet concise and up-to-date, survey of new developments and applications presented by the world's leading academics. It documents major, recent advances in scientific computation, mathematical models and theory development that specifically target the applications in nanotechnology. Suitable for theoreticians, researchers and students, the book shows readers what computational nanoscience can achieve, and how it may be applied in their own work. The twelve chapters cover topics including the concepts behind recent breakthroughs, the development of cutting edge simulation tools, and the variety of new applications.
Author: Andrew G. Mercader
Publisher: CRC Press
ISBN: 1482214261
Category : Science
Languages : en
Pages : 473
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Book Description
This book provides innovative chapters covering new methodologies and important applications in the fields of nanoscience and computational chemistry. The book offers scope for academics, researchers, and engineering professionals to present their research and development works that have potential for applications in several disciplines of nano and
Author: Kálmán Varga
Publisher: Cambridge University Press
ISBN: 1139501054
Category : Science
Languages : en
Pages : 445
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Book Description
Computer simulation is an indispensable research tool in modeling, understanding and predicting nanoscale phenomena. However, the advanced computer codes used by researchers are too complicated for graduate students wanting to understand computer simulations of physical systems. This book gives students the tools to develop their own codes. Describing advanced algorithms, the book is ideal for students in computational physics, quantum mechanics, atomic and molecular physics, and condensed matter theory. It contains a wide variety of practical examples of varying complexity to help readers at all levels of experience. An algorithm library in Fortran 90, available online at www.cambridge.org/9781107001701, implements the advanced computational approaches described in the text to solve physical problems.
Author: Stefan T. Bromley
Publisher: Elsevier
ISBN: 0081022751
Category : Science
Languages : en
Pages : 354
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Book Description
Computational Modelling of Nanoparticles highlights recent advances in the power and versatility of computational modelling, experimental techniques, and how new progress has opened the door to a more detailed and comprehensive understanding of the world of nanomaterials. Nanoparticles, having dimensions of 100 nanometers or less, are increasingly being used in applications in medicine, materials and manufacturing, and energy. Spanning the smallest sub-nanometer nanoclusters to nanocrystals with diameters of 10s of nanometers, this book provides a state-of-the-art overview on how computational modelling can provide, often otherwise unobtainable, insights into nanoparticulate structure and properties. This comprehensive, single resource is ideal for researchers who want to start/improve their nanoparticle modelling efforts, learn what can be (and what cannot) achieved with computational modelling, and understand more clearly the value and details of computational modelling efforts in their area of research. - Explores how computational modelling can be successfully applied at the nanoscale level - Includes techniques for the computation modelling of different types of nanoclusters, including nanoalloy clusters, fullerines and Ligated and/or solvated nanoclusters - Offers complete coverage of the use of computational modelling at the nanoscale, from characterization and processing, to applications
Author: Francisco Torrens
Publisher: CRC Press
ISBN: 0429675569
Category : Science
Languages : en
Pages : 296
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Book Description
This new volume presents a wealth of practical experience and research on new methodologies and important applications in chemical nanotechnology. It also includes small-scale nanotechnology-related projects that have potential applications in several disciplines of chemistry and nanotechnology. In this book, contributions range from new methods to novel applications of existing methods to gain understanding of the material and/or structural behavior of new and advanced systems. Topics cover computational methods in chemical engineering and chemoinformatics, studies of some of physico-chemical properties of several important nanoalloy clusters, the use of 3D reconstruction of nanofibrous membranes, nanotechnology research for green engineering and sustainability, nanofiltration and carbon nanotubes applications in water treatment, and much more.
Author: Castro, Eduardo A.
Publisher: IGI Global
ISBN: 1466616083
Category : Technology & Engineering
Languages : en
Pages : 321
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Book Description
The budding field of nanotechnology offers enormous potential for advances in medical science, engineering, transportation, computers, and many other industries. As this growing field solidifies, these technological advances may soon become a reality. Nanoscience and Advancing Computational Methods in Chemistry: Research Progress provides innovative chapters covering the growth of educational, scientific, and industrial research activities among chemical engineers and provides a medium for mutual communication between international academia and the industry. This book publishes significant research reporting new methodologies and important applications in the fields of chemical informatics and discusses latest coverage of chemical databases and the development of new experimental methods.
Author: Jang-Yu Hsu
Publisher: CRC Press
ISBN: 981424127X
Category : Science
Languages : en
Pages : 368
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Book Description
This book provides a comprehensive overview of the computational physics for nanoscience and nanotechnology. Based on MATLAB and the C++ distributed computing paradigm, the book gives instructive explanations of the underlying physics for mesoscopic systems with many listed programs that readily compute physical properties into nanoscales. Many generated graphical pictures demonstrate not only the principles of physics, but also the methodology of computing.
Author: Jerzy Leszczynski
Publisher: Springer Science & Business Media
ISBN: 940070710X
Category : Computers
Languages : en
Pages : 1451
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Book Description
This handbook is a guide to current methods of computational chemistry, explaining their limitations and advantages and providing examples of their applications. The first part outlines methods, the balance of volumes present numerous important applications.
Author: Jerzy Leszczynski
Publisher: Springer Science & Business
ISBN: 1489974458
Category : Science
Languages : en
Pages : 440
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Book Description
Theoretical and Computational Chemistry research has made unparalleled advancements in understanding every expanding area of science and technology. This volume presents the state-of-the-art research and progress made by eminent researchers in the area of theoretical computational chemistry and physics. The title mirrors the name of the annual international conference “Conference on Current Trends on Computational Chemistry” (CCTCC) which has become a popular discussion ground for eminent Theoretical and Computational Chemists and has been honored by the presence of several Nobel Laureates. Practical Aspects of Computational Chemistry III is aimed at theoretical and computational chemists, physical chemists, material scientists and those who are eager to apply computational chemistry methods to problems of chemical and physical importance. The book is a valuable resource for undergraduate, graduate and PhD students as well as established researchers.
Author: Jerzy Leszczynski
Publisher: Royal Society of Chemistry
ISBN: 1849735476
Category : Science
Languages : en
Pages : 379
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Book Description
The expanding field of nanotechnology is now one of the most promising areas of science. However, because some nanoparticles can have a negative impact on human health and the environment, the design of novel materials must always be accompanied by a comprehensive risk assessment. Until now, the information on the methods available has been fragmented and incomplete. This book is the first to provide a comprehensive review of recent progress and challenges in the risk assessment of nanomaterials by empirical and computational techniques. Topics covered include: benefits versus risks, carbon based nanomaterials, environmental detection and quantitative analysis, chemometric modelling, human exposure assessment, toxicity testing, nano-QSAR, risk assessment strategies, policy and regulatory frameworks.
