Computational Quantum Physics And Chemistry Of Nanomaterials
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Computational Quantum Physics And Chemistry Of Nanomaterials
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Author : Mojmír Šob
language : en
Publisher: MDPI
Release Date : 2021-04-01
Computational Quantum Physics And Chemistry Of Nanomaterials written by Mojmír Šob and has been published by MDPI this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-04-01 with Science categories.
This Special Issue of Nanomaterials collects a series of original research articles providing new insight into the application of computational quantum physics and chemistry in research on nanomaterials. It illustrates the extension and diversity of the field and indicates some future directions. It provides the reader with an overall view of the latest prospects in this fast evolving and cross-disciplinary field
Computational Quantum Physics And Chemistry Of Nanomaterials
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Author : Mojmír Šob
language : en
Publisher:
Release Date : 2021
Computational Quantum Physics And Chemistry Of Nanomaterials written by Mojmír Šob and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021 with categories.
This Special Issue of Nanomaterials collects a series of original research articles providing new insight into the application of computational quantum physics and chemistry in research on nanomaterials. It illustrates the extension and diversity of the field and indicates some future directions. It provides the reader with an overall view of the latest prospects in this fast evolving and cross-disciplinary field.
Nonequilibrium Quantum Transport Physics In Nanosystems Foundation Of Computational Nonequilibrium Physics In Nanoscience And Nanotechnology
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Author : Felix A Buot
language : en
Publisher: World Scientific
Release Date : 2009-08-05
Nonequilibrium Quantum Transport Physics In Nanosystems Foundation Of Computational Nonequilibrium Physics In Nanoscience And Nanotechnology written by Felix A Buot and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2009-08-05 with Technology & Engineering categories.
This book presents the first comprehensive treatment of discrete phase-space quantum mechanics and the lattice Weyl-Wigner formulation of energy band dynamics, by the originator of these theoretical techniques. The author's quantum superfield theoretical formulation of nonequilibrium quantum physics is given in real time, without the awkward use of artificial time contour employed in previous formulations. These two main quantum theoretical techniques combine to yield general (including quasiparticle-pairing dynamics) and exact quantum transport equations in phase-space, appropriate for nanodevices. The derivation of transport formulas in mesoscopic physics from the general quantum transport equations is also treated. Pioneering nanodevices are discussed in the light of the quantum-transport physics equations, and an in-depth treatment of the physics of resonant tunneling devices is given. Operator Hilbert-space methods and quantum tomography are discussed. Discrete phase-space quantum mechanics on finite fields is treated for completeness and by virtue of its relevance to quantum computing. The phenomenological treatment of evolution superoperator and measurements is given to help clarify the general quantum transport theory. Quantum computing and information theory is covered to demonstrate the foundational aspects of discrete quantum dynamics, particularly in deriving a complete set of multiparticle entangled basis states.
Quantum Mechanics With Applications To Nanotechnology And Information Science
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Author : Yehuda B. Band
language : en
Publisher: Academic Press
Release Date : 2013-01-10
Quantum Mechanics With Applications To Nanotechnology And Information Science written by Yehuda B. Band and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-01-10 with Science categories.
Quantum mechanics transcends and supplants classical mechanics at the atomic and subatomic levels. It provides the underlying framework for many subfields of physics, chemistry and materials science, including condensed matter physics, atomic physics, molecular physics, quantum chemistry, particle physics, and nuclear physics. It is the only way we can understand the structure of materials, from the semiconductors in our computers to the metal in our automobiles. It is also the scaffolding supporting much of nanoscience and nanotechnology. The purpose of this book is to present the fundamentals of quantum theory within a modern perspective, with emphasis on applications to nanoscience and nanotechnology, and information-technology. As the frontiers of science have advanced, the sort of curriculum adequate for students in the sciences and engineering twenty years ago is no longer satisfactory today. Hence, the emphasis on new topics that are not included in older reference texts, such as quantum information theory, decoherence and dissipation, and on applications to nanotechnology, including quantum dots, wires and wells. - This book provides a novel approach to Quantum Mechanics whilst also giving readers the requisite background and training for the scientists and engineers of the 21st Century who need to come to grips with quantum phenomena - The fundamentals of quantum theory are provided within a modern perspective, with emphasis on applications to nanoscience and nanotechnology, and information-technology - Older books on quantum mechanics do not contain the amalgam of ideas, concepts and tools necessary to prepare engineers and scientists to deal with the new facets of quantum mechanics and their application to quantum information science and nanotechnology - As the frontiers of science have advanced, the sort of curriculum adequate for students in the sciences and engineering twenty years ago is no longer satisfactory today - There are many excellent quantum mechanics books available, but none have the emphasis on nanotechnology and quantum information science that this book has
Chemistry Of Nanomaterials
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Author : Tahir Iqbal Awan
language : en
Publisher: Elsevier
Release Date : 2020-05-16
Chemistry Of Nanomaterials written by Tahir Iqbal Awan and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-05-16 with Science categories.
Chemistry of Nanomaterials: Fundamentals and Applications provides a foundational introduction to this chemistry. Beginning with an introduction to the field of nanoscience and technology, the book goes on to outline a whole range of important effects, interactions and properties. Tools used to assess such properties are discussed, followed by chapters putting this fundamental knowledge in context by providing examples of nanomaterials and their applications in the real world. Drawing on the experience of its expert authors, this book is an accessible introduction to the interactions at play in nanomaterials for both upper-level students and researchers. - Highlights the foundational chemical interactions at play in nanomaterials - Provides accessible insight for readers across multidisciplinary fields - Places nanomaterial chemistry in the context of the broader field of nanoscale research
Theoretical Chemistry For Advanced Nanomaterials
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Author : Taku Onishi
language : en
Publisher: Springer Nature
Release Date : 2020-02-03
Theoretical Chemistry For Advanced Nanomaterials written by Taku Onishi and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-02-03 with Science categories.
This book collects recent topics of theoretical chemistry for advanced nanomaterials from the points of view of both computational and experimental chemistry. It is written for computational and experimental chemists, including undergraduate students, who are working with advanced nanomaterials, where collaboration and interplay between computation and experiment are essential. After the general introduction of nanomaterials, several computational approaches are explained in Part II. Each chapter presents not only calculation methods but also concrete calculation results for advanced nanomaterials. Hydride ion conducting nanomaterials, high-k dielectric nanomaterials, and organic electronics are focused on. In Part III, the interplay between computational and experimental approaches is explained. The chapters show calculation results, combined with corresponding experimental data. Dimensionality of nanomaterials, electronic structure of oligomers and nanorods, carbon nanomaterials, and the electronic structure of a nanosized sandwich cluster is looked at carefully. In Part IV, functionality analysis is explained from the point of view of the experimental approach. The emphasis is on the mechanism of photoluminescence and hydrogen generation using silicon nanopowder, the superionic conducting mechanism of glass ceramics, nanoclusters formation on the surface of metal oxides, and the magnetic property of an organic one-dimensional nanochannel. Finally, forthcoming theoretical methods for excited states and quantum dynamics are introduced in Part V.
Computational Nanotechnology
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Author : Sarhan M. Musa
language : en
Publisher: CRC Press
Release Date : 2018-09-03
Computational Nanotechnology written by Sarhan M. Musa and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-09-03 with Science categories.
Applications of nanotechnology continue to fuel significant innovations in areas ranging from electronics, microcomputing, and biotechnology to medicine, consumer supplies, aerospace, and energy production. As progress in nanoscale science and engineering leads to the continued development of advanced materials and new devices, improved methods of modeling and simulation are required to achieve a more robust quantitative understanding of matter at the nanoscale. Computational Nanotechnology: Modeling and Applications with MATLAB® provides expert insights into current and emerging methods, opportunities, and challenges associated with the computational techniques involved in nanoscale research. Written by, and for, those working in the interdisciplinary fields that comprise nanotechnology—including engineering, physics, chemistry, biology, and medicine—this book covers a broad spectrum of technical information, research ideas, and practical knowledge. It presents an introduction to computational methods in nanotechnology, including a closer look at the theory and modeling of two important nanoscale systems: molecular magnets and semiconductor quantum dots. Topics covered include: Modeling of nanoparticles and complex nano and MEMS systems Theory associated with micromagnetics Surface modeling of thin films Computational techniques used to validate hypotheses that may not be accessible through traditional experimentation Simulation methods for various nanotubes and modeling of carbon nanotube and silicon nanowire transistors In regard to applications of computational nanotechnology in biology, contributors describe tracking of nanoscale structures in cells, effects of various forces on cellular behavior, and use of protein-coated gold nanoparticles to better understand protein-associated nanomaterials. Emphasizing the importance of MATLAB for biological simulations in nanomedicine, this wide-ranging survey of computational nanotechnology concludes by discussing future directions in the field, highlighting the importance of the algorithms, modeling software, and computational tools in the development of efficient nanoscale systems.
Theory And Applications Of Computational Chemistry
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Author : Clifford Dykstra
language : en
Publisher: Elsevier
Release Date : 2011-10-13
Theory And Applications Of Computational Chemistry written by Clifford Dykstra and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011-10-13 with Science categories.
Computational chemistry is a means of applying theoretical ideas using computers and a set of techniques for investigating chemical problems within which common questions vary from molecular geometry to the physical properties of substances. Theory and Applications of Computational Chemistry: The First Forty Years is a collection of articles on the emergence of computational chemistry. It shows the enormous breadth of theoretical and computational chemistry today and establishes how theory and computation have become increasingly linked as methodologies and technologies have advanced. Written by the pioneers in the field, the book presents historical perspectives and insights into the subject, and addresses new and current methods, as well as problems and applications in theoretical and computational chemistry. Easy to read and packed with personal insights, technical and classical information, this book provides the perfect introduction for graduate students beginning research in this area. It also provides very readable and useful reviews for theoretical chemists.* Written by well-known leading experts * Combines history, personal accounts, and theory to explain much of the field of theoretical and compuational chemistry* Is the perfect introduction to the field
Nanomaterials
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Author : K.T. Ramesh
language : en
Publisher: Springer Science & Business Media
Release Date : 2009-06-12
Nanomaterials written by K.T. Ramesh 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 2009-06-12 with Science categories.
This book grew out of my desire to understand the mechanics of nanomaterials, and to be able to rationalize in my own mind the variety of topics on which the people around me were doing research at the time. The ?eld of nanomaterials has been growing rapidly since the early 1990s. I- tially, the ?eld was populated mostly by researchers working in the ?elds of synt- sis and processing. These scientists were able to make new materials much faster than the rest of us could develop ways of looking at them (or understanding them). However, a con?uence of interests and capabilities in the 1990s led to the exp- sive growth of papers in the characterization and modeling parts of the ?eld. That con?uence came from three primary directions: the rapid growth in our ability to make nanomaterials, a relatively newfound ability to characterize the nanomate- als at the appropriate length and time scales, and the rapid growth in our ability to model nanomaterials at atomistic and molecular scales. Simultaneously, the commercial potential of nanotechnology has become app- ent to most high-technology industries, as well as to some industries that are tra- tionally not viewed as high-technology (such as textiles). Much of the rapid growth came through the inventions of physicists and chemists who were able to develop nanotechnology products (nanomaterials) through a dizzying array of routes, and who began to interface directly with biological entities at the nanometer scale. That growth continues unabated.
Introduction To Graphene Based Nanomaterials
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Author : Luis E. F. Foa Torres
language : en
Publisher: Cambridge University Press
Release Date : 2014-01-23
Introduction To Graphene Based Nanomaterials written by Luis E. F. Foa Torres and has been published by Cambridge University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-01-23 with Science categories.
A detailed primer describing the most effective theoretical and computational methods and tools for simulating graphene-based systems.