INFORMATION THEORY OF MOLECULAR SYSTEMS

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Information Theory Of Molecular Systems

Author : Roman F. Nalewajski
ISBN : 9780080459745
Genre : Computers
File Size : 79.1 MB
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As well as providing a unified outlook on physics, Information Theory (IT) has numerous applications in chemistry and biology owing to its ability to provide a measure of the entropy/information contained within probability distributions and criteria of their information "distance" (similarity) and independence. Information Theory of Molecular Systems applies standard IT to classical problems in the theory of electronic structure and chemical reactivity. The book starts by introducing the basic concepts of modern electronic structure/reactivity theory based upon the Density Functional Theory (DFT), followed by an outline of the main ideas and techniques of IT, including several illustrative applications to molecular systems. Coverage includes information origins of the chemical bond, unbiased definition of molecular fragments, adequate entropic measures of their internal (intra-fragment) and external (inter-fragment) bond-orders and valence-numbers, descriptors of their chemical reactivity, and information criteria of their similarity and independence. Information Theory of Molecular Systems is recommended to graduate students and researchers interested in fresh ideas in the theory of electronic structure and chemical reactivity. ·Provides powerful tools for tackling both classical and new problems in the theory of the molecular electronic structure and chemical reactivity ·Introduces basic concepts of the modern electronic structure/reactivity theory based upon the Density Functional Theory (DFT) ·Outlines main ideas and techniques of Information Theory
Category: Computers

Molecular Information Theory And Practice

Author : James A. Bosworth, Ph.D.
ISBN : 9781684098996
Genre : Computers
File Size : 41.82 MB
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Information systems exist to answer questions from the user or to accumulate and filter data to provide a store of what stakeholders have determined to be of value for decision making or evaluation. It has been found that systems development often is done in an environment where the mission and goal are unclear, the budget is either nonexistent or ill-defined, and the project manager is not prepared for the effort. In the field of information science, there are two sayings that come to the professional mind when a system fails: “Garbage in, garbage out,” and “When you don't know where you are, any map will do.” Molecular Information Theory and Practice provides a method that allows management to relate in a common environment with IT professionals. With the implementation of this method, IT staff can complete a new design or system upgrade on time and on budget.
Category: Computers

Advances In The Theory Of Atomic And Molecular Systems

Author : Piotr Piecuch
ISBN : 9048125960
Genre : Science
File Size : 26.22 MB
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Advances in the Theory of Atomic and Molecular Systems, is a collection of contributions presenting recent theoretical and computational developments that provide new insights into the structure, properties, and behavior of a variety of atomic and molecular systems. This volume (subtitled: Conceptual and Computational Advances in Quantum Chemistry) focuses on electronic structure theory and its foundations. This volume is an invaluable resource for faculty, graduate students, and researchers interested in theoretical and computational chemistry and physics, physical chemistry and chemical physics, molecular spectroscopy, and related areas of science and engineering.
Category: Science

Information Theory Models Of Instabilities In Critical Systems

Author : Rodrick Wallace
ISBN : 9789813147300
Genre : Computers
File Size : 34.87 MB
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The book is a unique exploration of a spectrum of unexpected analogs to psychopathologies likely to afflict real-time critical systems, written by a specialist in the epidemiology of mental disorders. The purpose of this book is to develop a set of information-theoretic statistical tools for analyzing the instabilities of real-time cognitive systems at those varying scales and levels of organization, with special focus on high level machine function. The book should be of particular interest to both industry and academic scientists, and government regulators, concerned with driverless cars on intelligent roads. Many of the same concerns also afflict high-end automated weapons systems. The book should appeal to students, researchers, and industrial and governmental administrators facing the design, operation, and maintenance of real time critical systems ranging across manufacturing facilities, transportation, finance, and military operations.
Category: Computers

Infochemistry

Author : Konrad Szacilowski
ISBN : 9780470710876
Genre : Technology & Engineering
File Size : 39.17 MB
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Infochemistry: Information Processing at the Nanoscale, defines a new field of science, and describes the processes, systems and devices at the interface between chemistry and information sciences. The book is devoted to the application of molecular species and nanostructures to advanced information processing. It includes the design and synthesis of suitable materials and nanostructures, their characterization, and finally applications of molecular species and nanostructures for information storage and processing purposes. Divided into twelve chapters; the first three chapters serve as an introduction to the basic concepts of digital information processing, its development, limitations and finally introduces some alternative concepts for prospective technologies. Chapters four and five discuss traditional low-dimensional metals and semiconductors and carbon nanostructures respectively, while further chapters discuss Photoelectrochemical photocurrent switching and related phenomena and self-organization and self-assembly. Chapters eight, nine and ten discuss information processing at the molecular level, and eleven describes information processing in natural systems. The book concludes with a discussion of the future prospects for the field. Further topics: Traditional electronic device development is rapidly approaching a limit, so molecular scale information processing is critical in order to meet increasing demand for high computational power Characterizes chemical systems not according to their chemical nature, but according to their role as prospective information technology elements Covers the application of molecular species and nanostructures as molecular scale logic gates, switches, memories, and complex computing devices This book will be of particular interest to researchers in nanoelectronics, organic electronics, optoelectronics, chemistry and materials science.
Category: Technology & Engineering

Towards An Information Theory Of Complex Networks

Author : Matthias Dehmer
ISBN : 0817649042
Genre : Mathematics
File Size : 63.50 MB
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For over a decade, complex networks have steadily grown as an important tool across a broad array of academic disciplines, with applications ranging from physics to social media. A tightly organized collection of carefully-selected papers on the subject, Towards an Information Theory of Complex Networks: Statistical Methods and Applications presents theoretical and practical results about information-theoretic and statistical models of complex networks in the natural sciences and humanities. The book's major goal is to advocate and promote a combination of graph-theoretic, information-theoretic, and statistical methods as a way to better understand and characterize real-world networks. This volume is the first to present a self-contained, comprehensive overview of information-theoretic models of complex networks with an emphasis on applications. As such, it marks a first step toward establishing advanced statistical information theory as a unified theoretical basis of complex networks for all scientific disciplines and can serve as a valuable resource for a diverse audience of advanced students and professional scientists. While it is primarily intended as a reference for research, the book could also be a useful supplemental graduate text in courses related to information science, graph theory, machine learning, and computational biology, among others.
Category: Mathematics

Information Theory And Evolution

Author : John Avery
ISBN : 9812384006
Genre : Science
File Size : 61.50 MB
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This highly interdisciplinary book discusses the phenomenon of life, including its origin and evolution (and also human cultural evolution), against the background of thermodynamics, statistical mechanics, and information theory. Among the central themes is the seeming contradiction between the second law of thermodynamics and the high degree of order and complexity produced by living systems. This paradox has its resolution in the information content of the Gibbs free energy that enters the biosphere from outside sources, as the author shows. The role of information in human cultural evolution is another focus of the book. One of the final chapters discusses the merging of information technology and biotechnology into a new discipline ? bio-information technology.
Category: Science

Encyclopedia Of Computer Science And Technology

Author : Allen Kent
ISBN : 0824722949
Genre : Computers
File Size : 64.11 MB
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This 41st volume covers Application of Bayesan Belief Networks to Highway Construction to Virtual Reality Software and Technology.
Category: Computers

Information Theory Evolution And The Origin Of Life

Author : Hubert P. Yockey
ISBN : 0521802938
Genre : Computers
File Size : 36.95 MB
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Information Theory, Evolution and the Origin of Life presents a timely introduction to the use of information theory and coding theory in molecular biology. The genetical information system, because it is linear and digital, resembles the algorithmic language of computers. George Gamow pointed out that the application of Shannon's information theory breaks genetics and molecular biology out of the descriptive mode into the quantitative mode and Dr Yockey develops this theme, discussing how information theory and coding theory can be applied to molecular biology. He discusses how these tools for measuring the information in the sequences of the genome and the proteome are essential for our complete understanding of the nature and origin of life. The author writes for the computer competent reader who is interested in evolution and the origins of life.
Category: Computers

A Practical Introduction To The Simulation Of Molecular Systems

Author : Martin J. Field
ISBN : 9781139465816
Genre : Science
File Size : 40.99 MB
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Molecular simulation is a powerful tool in materials science, physics, chemistry and biomolecular fields. This updated edition provides a pragmatic introduction to a wide range of techniques for the simulation of molecular systems at the atomic level. The first part concentrates on methods for calculating the potential energy of a molecular system, with new chapters on quantum chemical, molecular mechanical and hybrid potential techniques. The second part describes methods examining conformational, dynamical and thermodynamical properties of systems, covering techniques including geometry-optimization, normal-mode analysis, molecular dynamics, and Monte Carlo simulation. Using Python, the second edition includes numerous examples and program modules for each simulation technique, allowing the reader to perform the calculations and appreciate the inherent difficulties involved in each. This is a valuable resource for researchers and graduate students wanting to know how to use atomic-scale molecular simulations. Supplementary material, including the program library and technical information, available through www.cambridge.org/9780521852524.
Category: Science