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Information Theory of Molecular Systems

Information Theory of Molecular Systems Author Roman F. Nalewajski
ISBN-10 9780080459745
Release 2006-03-31
Pages 462
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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

Information Theory Evolution and the Origin of Life

Information Theory  Evolution  and the Origin of Life Author Hubert P. Yockey
ISBN-10 0521802938
Release 2005-04-18
Pages 259
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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.

Information and Communication Theory in Molecular Biology

Information  and Communication Theory in Molecular Biology Author Martin Bossert
ISBN-10 9783319547299
Release 2017-08-01
Pages 374
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This edited monograph presents the collected interdisciplinary research results of the priority program “Information- and Communication Theory in Molecular Biology (InKoMBio, SPP 1395)”, funded by the German Research Foundation DFG, 2010 until 2016. The topical spectrum is very broad and comprises, but is not limited to, aspects such as microRNA as part of cell communication, information flow in mammalian signal transduction pathway, cell-cell communication, semiotic structures in biological systems, as well as application of methods from information theory in protein interaction analysis. The target audience primarily comprises research experts in the field of biological signal processing, but the book is also beneficial for graduate students alike.

Molecular Communication

Molecular Communication Author Tadashi Nakano
ISBN-10 9781107023086
Release 2013-09-12
Pages 192
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A comprehensive guide written by pioneers in the field, providing a detailed introduction to the state of the art in molecular communication.

Advances in the Theory of Atomic and Molecular Systems

Advances in the Theory of Atomic and Molecular Systems Author Piotr Piecuch
ISBN-10 9048125960
Release 2009-09-30
Pages 448
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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.

Information Theory and Evolution

Information Theory and Evolution Author John Scales Avery
ISBN-10 9789814401227
Release 2012
Pages 264
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Information Theory and Evolution 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 will show. The role of information in human cultural evolution is another focus of the book. The first edition of Information Theory and Evolution made a strong impact on thought in the field by bringing together results from many disciplines. The new second edition offers updated results based on reports of important new research in several areas, including exciting new studies of the human mitochondrial and Y-chromosomal DNA. Another extensive discussion featured in the second edition is contained in a new appendix devoted to the relationship of entropy and Gibbs free energy to economics. This appendix includes a review of the ideas of Alfred Lotka, Frederick Soddy, Nicholas Georgiescu-Roegen and Herman E. Daly, and discusses the relevance of these ideas to the current economic crisis. The new edition discusses current research on the origin of life, the distinction between thermodynamic information and cybernetic information, new DNA research and human prehistory, developments in current information technology, and the relationship between entropy and economics.


Infochemistry Author Konrad Szacilowski
ISBN-10 9780470710876
Release 2012-04-25
Pages 416
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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.

A Practical Introduction to the Simulation of Molecular Systems

A Practical Introduction to the Simulation of Molecular Systems Author Martin J. Field
ISBN-10 9781139465816
Release 2007-07-19
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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

Theory and Applications of Computational Chemistry

Theory and Applications of Computational Chemistry Author Clifford Dykstra
ISBN-10 9780080456249
Release 2011-10-13
Pages 1336
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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

Information Theory and the Living System

Information Theory and the Living System Author Lila L. Gatlin
ISBN-10 0231036345
Release 1972
Pages 210
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The author applies the universal precepts of information theory to the communication system of DNA.

Quantitative Biology

Quantitative Biology Author Michael E. Wall
ISBN-10 9781439827222
Release 2012-08-25
Pages 392
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Quantitative methods are revolutionizing modern molecular and cellular biology. Groundbreaking technical advances are fueling the rapid expansion in our ability to observe, as seen in multidisciplinary studies that integrate theory, computation, experimental assays, and the control of microenvironments. Integrating new experimental and theoretical methods, Quantitative Biology: From Molecular to Cellular Systems gives both new and established researchers a solid foundation for starting work in this field. The book is organized into three sections: Fundamental Concepts covers bold ideas that inspire novel approaches in modern quantitative biology. It offers perspectives on evolutionary dynamics, system design principles, chance and memory, and information processing in biology. Methods describes recently developed or improved techniques that are transforming biological research. It covers experimental methods for studying single-molecule biochemistry, small-angle scattering from biomolecules, subcellular localization of proteins, and single-cell behavior. It also describes theoretical methods for synthetic biology and modeling random variations among cells. Molecular and Cellular Systems focuses on specific biological systems where modern quantitative biology methods are making an impact. It incorporates case studies of biological systems for which new concepts or methods are increasing our understanding. Examples include protein kinase at the molecular level, the genetic switch of phage lambda at the regulatory system level, and Escherichia coli chemotaxis at the cellular level. In short, Quantitative Biology presents practical tools for the observation, modeling, design, and manipulation of biological systems from the molecular to the cellular levels.

Theory of Quantum and Classical Connections in Modeling Atomic Molecular and Electrodynamical Systems

Theory of Quantum and Classical Connections in Modeling Atomic  Molecular and Electrodynamical Systems Author Alexandru Popa
ISBN-10 9780124104686
Release 2013-10-05
Pages 80
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Quantum and Classical Connections in Modeling Atomic, Molecular and Electrodynamic Systems is intended for scientists and graduate students interested in the foundations of quantum mechanics and applied scientists interested in accurate atomic and molecular models. This is a reference to those working in the new field of relativistic optics, in topics related to relativistic interactions between very intense laser beams and particles, and is based on 30 years of research. The novelty of this work consists of accurate connections between the properties of quantum equations and corresponding classical equations used to calculate the energetic values and the symmetry properties of atomic, molecular and electrodynamical systems, as well as offering applications using methods for calculating the symmetry properties and the energetic values of systems and the calculation of properties of high harmonics in interactions between very intense electromagnetic fields and electrons. Features detailed explanations of the theories of atomic and molecular systems, as well as wave properties of stationary atomic and molecular systems Provides periodic solutions of classical equations, semi-classical methods, and theories of systems composed of very intense electromagnetic fields and particles Offers models and methods based on 30 years of research

Optical Harmonics in Molecular Systems

Optical Harmonics in Molecular Systems Author Philip Allcock
ISBN-10 3527403175
Release 2002-09-09
Pages 253
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In recent years the generation of optical harmonics in molecular systems has become an area of increasing interest for a number of reasons. First, many organic crystals and polymeric solids prove not only to have usefully large optical nonlinearities but also to be surprisingly robust and thermally stable. Consequently the fabrication of organic materials for laser frequency conversion has become very much a growth area. At interfaces and in partially ordered systems, harmonic generation is now of considerable scientific interest through the detailed structural information it affords. And in molecular gases and liquids, processes of optical harmonic conversion present a powerful tool for the study of both static and dynamic effects of molecular orientation. Where the detailed nonlinear optical response of molecules is required, the application of molecular quantum electrodynamics (QED) brings both rigour and conceptual facility. Using this approach the authors address topics of direct experimental concern in a general formulation of theory for optical harmonics, with a particular focus on quantum optical and molecular aspects. A detailed basis is provided for the applications, enabling the characteristic features of optical nonlinearity to be examined in general terms. A great many of the optical phenomena subsequently addressed find wide application in nonlinear optics and chemical physics. Specifically, the book deals with coherent harmonic generation, both within and at interfaces between different media. It addresses elastic second harmonic (Hyper-Rayleigh) light scattering as well as the inelastic case normally referred to as Hyper-Raman scattering. Full and detailed tables and results are provided for the analysis of experimental observations.

Encyclopedia of Computer Science and Technology

Encyclopedia of Computer Science and Technology Author Allen Kent
ISBN-10 0824722949
Release 1999-08-19
Pages 500
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This 41st volume covers Application of Bayesan Belief Networks to Highway Construction to Virtual Reality Software and Technology.

Variational Methods in Molecular Modeling

Variational Methods in Molecular Modeling Author Jianzhong Wu
ISBN-10 9789811025020
Release 2016-12-17
Pages 324
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This book presents tutorial overviews for many applications of variational methods to molecular modeling. Topics discussed include the Gibbs-Bogoliubov-Feynman variational principle, square-gradient models, classical density functional theories, self-consistent-field theories, phase-field methods, Ginzburg-Landau and Helfrich-type phenomenological models, dynamical density functional theory, and variational Monte Carlo methods. Illustrative examples are given to facilitate understanding of the basic concepts and quantitative prediction of the properties and rich behavior of diverse many-body systems ranging from inhomogeneous fluids, electrolytes and ionic liquids in micropores, colloidal dispersions, liquid crystals, polymer blends, lipid membranes, microemulsions, magnetic materials and high-temperature superconductors. All chapters are written by leading experts in the field and illustrated with tutorial examples for their practical applications to specific subjects. With emphasis placed on physical understanding rather than on rigorous mathematical derivations, the content is accessible to graduate students and researchers in the broad areas of materials science and engineering, chemistry, chemical and biomolecular engineering, applied mathematics, condensed-matter physics, without specific training in theoretical physics or calculus of variations.

Information Theory and Molecular Biology

Information Theory and Molecular Biology Author Hubert P. Yockey
ISBN-10 0521350050
Release 1992-10-22
Pages 428
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Dr. Yockey presents an introduction to the use of information theory in molecular biology. The book lends to molecular biology a well-developed mathematical foundation and provides mathematical definitions for the vocabulary with which basic questions in molecular biology are debated: information, complexity, order, uncertainty, randomness, and similarity.

Quantum Information Theory and Quantum Statistics

Quantum Information Theory and Quantum Statistics Author Dénes Petz
ISBN-10 9783540746362
Release 2007-10-20
Pages 216
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This concise and readable book addresses primarily readers with a background in classical statistical physics and introduces quantum mechanical notions as required. Conceived as a primer to bridge the gap between statistical physics and quantum information, it emphasizes concepts and thorough discussions of the fundamental notions and prepares the reader for deeper studies, not least through a selection of well chosen exercises.