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Books in Computational physics

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    • Application of New Cybernetics in Physics

      • 1st Edition
      • Oleg Kupervasser
      • English
      Application of New Cybernetics in Physics describes the application of new cybernetics to physical problems and the resolution of basic physical paradoxes by considering external observer influence. This aids the reader in solving problems that were solved incorrectly or have not been solved. Three groups of problems of the new cybernetics are considered in the book: (a) Systems that can be calculated based on known physics of subsystems. This includes the external observer influence calculated from basic physical laws (ideal dynamics) and dynamics of a physical system influenced even by low noise (observable dynamics). (b) Emergent systems. This includes external noise from the observer by using the black box model (complex dynamics), external noise from the observer by using the observer’s intuition (unpredictable dynamics), defining boundaries of application of scientific methods for system behavior prediction, and the role of the observer’s intuition for unpredictable systems. (c) Methods for solution of basic physical paradoxes by using methods of the new cybernetics: the entropy increase paradox, Schrödinger’s cat paradox (wave package reduction in quantum mechanics), the black holes information paradox, and the time wormholes grandfather paradox. All of the above paradoxes have the same resolution based on the principles of new cybernetics. Indeed, even a small interaction of an observer with an observed system results in their time arrows’ alignment (synchronization) and results in the paradox resolution and appearance of the universal time arrow.

    • Fundamentals of Quantum Mechanics

      • 3rd Edition
      • James E. House
      • English
      Fundamentals of Quantum Mechanics, Third Edition is a clear and detailed introduction to quantum mechanics and its applications in chemistry and physics. All required math is clearly explained, including intermediate steps in derivations, and concise review of the math is included in the text at appropriate points. Most of the elementary quantum mechanical models—including particles in boxes, rigid rotor, harmonic oscillator, barrier penetration, hydrogen atom—are clearly and completely presented. Applications of these models to selected “real world” topics are also included.This new edition includes many new topics such as band theory and heat capacity of solids, spectroscopy of molecules and complexes (including applications to ligand field theory), and small molecules of astrophysical interest.

    • Annual Reports in Computational Chemistry

      • 1st Edition
      • Volume 9
      • Ralph A. Wheeler
      • English
      Annual Reports in Computational Chemistry provides timely and critical reviews of important topics in computational chemistry as applied to all chemical disciplines. Topics covered include quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings. Focusing on the most recent literature and advances in the field, each article covers a specific topic of importance to computational chemists.

    • Magnetic Positioning Equations

      Theory and Applications
      • 1st Edition
      • Mordechay Esh
      • English
      In the study of Magnetic Positioning Equations, it is possible to calculate and create analytical expressions for the intensity of magnetic fields when the coordinates x, y and z are known; identifying the inverse expressions is more difficult. This book is designed to explore the discovery of how to get the coordinates of analytical expressions x, y and z when the intensity of the magnetic fields are known. The discovery also deals with the problem of how to analyze, define and design any type of transmitter along with its positioning equation(s).

    • Annual Reports in Computational Chemistry

      • 1st Edition
      • Volume 6
      • Ralph A. Wheeler + 1 more
      • English
      Annual Reports in Computational Chemistry is a new periodical providing timely and critical reviews of important topics in computational chemistry as applied to all chemical disciplines. Topics covered include quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings. Each volume is organized into (thematic) sections with contributions written by experts. Focusing on the most recent literature and advances in the field, each article covers a specific topic of importance to computational chemists. Annual Reports in Computational Chemistry is a "must" for researchers and students wishing to stay up-to-date on current developments in computational chemistry.

    • Statistics of Linear Polymers in Disordered Media

      • 1st Edition
      • Bikas K. Chakrabarti
      • English
      With the mapping of the partition function graphs of the n-vector magnetic model in the n to 0 limit as the self-avoiding walks, the conformational statistics of linear polymers was clearly understood in early seventies. Various models of disordered solids, percolation model in particular, were also established by late seventies. Subsequently, investigations on thestatistics of linear polymers or of self-avoiding walks in, say, porous medium or disordered lattices were started in early eighties. Inspite of the brilliant ideas forwarded and extensive studies made for the next two decades, the problem is not yet completely solved in its generality. This intriguing and important problem has remained since a topic of vigorous and active research.This book intends to offer the readers a first hand and extensive review of the various aspects of the problem, written by the experts in the respective fields. We hope, the contents of the book will provide a valuable guide for researchers in statistical physics of polymers and will surely induce further research and advances towards a complete understanding of the problem.

    • Understanding Molecular Simulation

      From Algorithms to Applications
      • 2nd Edition
      • Daan Frenkel + 1 more
      • English
      Understanding Molecular Simulation: From Algorithms to Applications explains the physics behind the "recipes" of molecular simulation for materials science. Computer simulators are continuously confronted with questions concerning the choice of a particular technique for a given application. A wide variety of tools exist, so the choice of technique requires a good understanding of the basic principles. More importantly, such understanding may greatly improve the efficiency of a simulation program. The implementation of simulation methods is illustrated in pseudocodes and their practical use in the case studies used in the text. Since the first edition only five years ago, the simulation world has changed significantly -- current techniques have matured and new ones have appeared. This new edition deals with these new developments; in particular, there are sections on: Transition path sampling and diffusive barrier crossing to simulaterare events Dissipative particle dynamic as a course-grained simulation technique Novel schemes to compute the long-ranged forces Hamiltonian and non-Hamiltonian dynamics in the context constant-temperature and constant-pressure molecular dynamics simulations Multiple-time step algorithms as an alternative for constraints Defects in solids The pruned-enriched Rosenbluth sampling, recoil-growth, and concerted rotations for complex molecules Parallel tempering for glassy Hamiltonians Examples are included that highlight current applications and the codes of case studies are available on the World Wide Web. Several new examples have been added since the first edition to illustrate recent applications. Questions are included in this new edition. No prior knowledge of computer simulation is assumed.