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SPIRES-BOOKS: FIND KEYWORD THEORETICAL AND COMPUTATIONAL CHEMISTRY *END*INIT* use /tmp/qspiwww.webspi1/22798.46 QRY 131.225.70.96 . find keyword theoretical and computational chemistry ( in books using www Cover
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Call number:9783319466644:ONLINE Show nearby items on shelf
Title:Problems in Classical and Quantum Mechanics Extracting the Underlying Concepts
Author(s): J. Daniel Kelley
Date:2017
Size:1 online resource (XVI, 368 p. 71 illus., 2 illus. in color p.)
Contents:Classical Mechanics -- Newtonian Physics -- Lagrangian and Hamiltonian Dynamics -- Central Forces and Orbits -- Normal Modes and Coordinates -- Quantum Mechanics -- Introductory Concepts -- Bound States in One Dimension -- Ladder
Operators for the Harmonic Oscillator -- Angular Momentum -- Bound states in Three Dimensions -- Approximation Methods -- The Variational Method -- Non-degenerate Time Independent Perturbation Theory -- Degenerate Time Independent
Perturbation Theory -- Time Dependent Perturbation Theory
ISBN:9783319466644
Series:eBooks
Series:Springer eBooks
Series:Springer 2017 package
Keywords: Physics , Chemistry, Physical and theoretical , Quantum physics , Mechanics , Mechanics, Applied , Physics , Classical Mechanics , Quantum Physics , Theoretical and Applied Mechanics , Theoretical and Computational Chemistry
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Call number:SPRINGER-2016-9783319316116:ONLINE Show nearby items on shelf
Title:Probability for Physicists
Author(s): Simon Sirca
Date:2016
Size:1 online resource (29 p.)
Note:10.1007/978-3-319-31611-6
Contents:Basic Terminology -- Probability Distributions -- Special Continuous Probability Distributions -- Expected Values -- Special Discrete Probability Distributions -- Convolution -- Samples -- Estimation of Parameters and Statistical
Tests -- Regression -- Entropy -- Markov Processes -- Generation of Pseudorandom Numbers -- Monte Carlo Method -- Stochastic Population Modeling
ISBN:9783319316116
Series:eBooks
Series:SpringerLink (Online service)
Series:Springer eBooks
Keywords: Physics , Chemistry, Physical and theoretical , Mathematical physics , Probabilities , Statistical physics , Dynamical systems , Physics , Statistical Physics, Dynamical Systems and Complexity , Mathematical Methods in Physics , Probability Theory and Stochastic Processes , Mathematical Applications in the Physical Sciences , Theoretical and Computational Chemistry
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Call number:SPRINGER-2016-9783319272658:ONLINE Show nearby items on shelf
Title:Basic Concepts in Computational Physics
Author(s): Benjamin A Stickler
Date:2016
Edition:2nd ed. 2016
Size:1 online resource (409 p.)
Note:10.1007/978-3-319-27265-8
Contents:Some Basic Remarks -- Part I Deterministic Methods -- Numerical Differentiation -- Numerical Integration -- The KEPLER Problem -- Ordinary Differential Equations – Initial Value Problems -- The Double Pendulum -- Molecular Dynamics --
Numerics of Ordinary Differential Equations - Boundary Value Problems -- The One-Dimensional Stationary Heat Equation -- The One-Dimensional Stationary SCHRÖDINGER Equation -- Partial Differential Equations -- Part II Stochastic
Methods -- Pseudo Random Number Generators -- Random Sampling Methods -- A Brief Introduction to Monte-Carlo Methods -- The ISING Model -- Some Basics of Stochastic Processes -- The Random Walk and Diffusion Theory -- MARKOV-Chain
Monte Carlo and the POTTS Model -- Data Analysis -- Stochastic Optimization -- Appendix: The Two-Body Problem -- Solving Non-Linear Equations. The NEWTON Method -- Numerical Solution of Systems of Equations -- Fast Fourier Transform --
Basics of Probability Theory -- Phase Transitions -- Fractional Integrals and Derivatives in 1D -- Least Squares Fit -- Deterministic Optimization
ISBN:9783319272658
Series:eBooks
Series:SpringerLink (Online service)
Series:Springer eBooks
Keywords: Physics , Chemistry, Physical and theoretical , Computer mathematics , Applied mathematics , Engineering mathematics , Physics , Numerical and Computational Physics , Appl.Mathematics/Computational Methods of Engineering , Computational Mathematics and Numerical Analysis , Theoretical and Computational Chemistry
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Call number:SPRINGER-2016-9783319271880:ONLINE Show nearby items on shelf
Title:Stochastic Dynamics and Energetics of Biomolecular Systems
Author(s): Artem Ryabov
Date:2016
Edition:1st ed. 2016
Size:1 online resource (118 p.)
Note:10.1007/978-3-319-27188-0
Contents:Introduction -- Basics of Single-File Diffusion -- SFD in a Semi-infinite System with Absorbing Boundary -- First-Passage Properties of a Tracer in a Finite Interval -- Basics of Stochastic Thermodynamics -- Work Distribution in
Logarithmic-Harmonic Potential -- Conclusions and Outlook
ISBN:9783319271880
Series:eBooks
Series:SpringerLink (Online service)
Series:Springer eBooks
Keywords: Physics , Physical chemistry , Amorphous substances , Complex fluids , Nanoscale science , Nanoscience , Nanostructures , Statistical physics , Dynamical systems , Physics , Statistical Physics, Dynamical Systems and Complexity , Soft and Granular Matter, Complex Fluids and Microfluidics , Physical Chemistry , Nanoscale Science and Technology , Theoretical, Mathematical and Computational Physics
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Call number:SPRINGER-2016-9783319246338:ONLINE Show nearby items on shelf
Title:High Performance Computing in Science and Engineering ´15 Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2015
Author(s):
Date:2016
Edition:1st ed. 2016
Size:1 online resource (71 p.)
Note:10.1007/978-3-319-24633-8
Contents:Preface -- Part I: Physics -- Part II: Molecules, Surfaces, and Solids -- Part III: Bioinformatics -- Part IV: Reacting Flows -- Part V: Computational Fluid Dynamics.- Part VI: Transport and Climate -- Part VII: Miscellaneous Topics
ISBN:9783319246338
Series:eBooks
Series:SpringerLink (Online service)
Series:Springer eBooks
Keywords: Mathematics , Chemistry, Physical and theoretical , Computer mathematics , Physics , Applied mathematics , Engineering mathematics , Mathematics , Computational Science and Engineering , Theoretical, Mathematical and Computational Physics , Appl.Mathematics/Computational Methods of Engineering , Theoretical and Computational Chemistry
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Call number:SPRINGER-2016-9783319215181:ONLINE Show nearby items on shelf
Title:Complexity and Control in Quantum Photonics
Author(s): Peter Shadbolt
Date:2016
Edition:1st ed. 2016
Size:1 online resource (2 p.)
Note:10.1007/978-3-319-21518-1
Contents:Introduction and Essential Physics -- A Reconfigurable Two-qubit chip -- A Quantum Delayed-Choice Experiment -- Entanglement and Non locality without a Shared Frame -- Quantum Chemistry on a Photonic Chip -- Increased complexity --
Discussion
ISBN:9783319215181
Series:eBooks
Series:SpringerLink (Online service)
Series:Springer eBooks
Keywords: Physics , Chemistry, Physical and theoretical , Quantum computers , Quantum physics , Quantum optics , Spintronics , Physics , Quantum Optics , Quantum Information Technology, Spintronics , Theoretical and Computational Chemistry , Quantum Computing , Quantum Physics
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Call number:SPRINGER-2016-9781441981851:ONLINE Show nearby items on shelf
Title:Fundamental Aspects of Plasma Chemical Physics Kinetics
Author(s): Mario Capitelli
Date:2016
Edition:1st ed. 2016
Size:1 online resource (138 p.)
Note:10.1007/978-1-4419-8185-1
Contents:Electron-molecule cross sections and rates involving rotationally, vibrationally and electronically excited states -- Reactivity and relaxation of vibrationally/rotationally excited molecules with open shell atoms -- Formation of
vibrationally and rotationally excited molecules during atom recombination on surfaces -- Collisional-radiative models for atomic plasmas -- Collisional-radiative models for molecular plasmas -- Kinetic and Monte Carlo approaches to
solve Boltzmann equation for the electron energy distribution functions -- Non-equilibrium plasma kinetics under discharge and post-discharge conditions: coupling problems for low pressure and atmospheric cold plasmas -- Ion transport
under strong fields -- PIC (Particle In Cell ) models for low-pressure plasmas -- Negative ion H- for fusion -- Non equilibrium plasma expansion through nozzles
ISBN:9781441981851
Series:eBooks
Series:SpringerLink (Online service)
Series:Springer eBooks
Series:Springer Series on Atomic, Optical, and Plasma Physics: 85
Keywords: Physics , Physical chemistry , Mechanics , Plasma (Ionized gases) , Physics , Plasma Physics , Physical Chemistry , Theoretical, Mathematical and Computational Physics , Mechanics
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Call number:SPRINGER-2013-9781461476870:ONLINE Show nearby items on shelf
Title:Brownian Dynamics at Boundaries and Interfaces [electronic resource] : In Physics, Chemistry, and Biology
Author(s): Zeev Schuss
Date:2013
Publisher:New York, NY : Springer New York : Imprint: Springer
Size:1 online resource
Note:Springer e-book platform
Note:Springer 2013 e-book collections
Note:Brownian dynamics serve as mathematical models for the diffusive motion of microscopic particles of various shapes in gaseous, liquid, or solid environments. The renewed interest in Brownian dynamics is due primarily to their keyrole in molecular and cellular biophysics: diffusion of ions and molecules is the driver of all life. Brownian dynamics simulations are the numerical realizations of stochastic differential equations that model the functions ofbiological micro devices such as protein ionic ch annels of biological membranes, cardiac myocytes, neuronal synapses, and many more. Stochastic differential equations are ubiquitous models in computational physics, chemistry,biophysics, computer science, communications theory, mathematical finance theor y, and many other disciplines. Brownian dynamics simulations of the random motion of particles, be it molecules or stock prices, give rise to mathematicalproblems that neither the kinetic theory of Maxwell and Boltzmann, nor Einsteins and Langevins theori es of Brownian motion could predict. This book takes the readers on a journey that starts with the rigorous definition ofmathematical Brownian motion, and ends with the explicit solution of a series of complex problems that have immediate applications. It is aimed at applied mathematicians, physicists, theoretical chemists, and physiologists who areinterested in modeling, analysis, and simulation of micro devices of microbiology. The book contains exercises and worked out examples throughout
Note:Springer eBooks
Contents:The Mathematical Brownian Motion
Euler Simulation of Ito SDEs
Simulation of the Overdamped Langevin Equation
The First Passage Time of a Diffusion Process
Chemical Reaction in Microdomains
The Stochastic Separatrix
Narrow Escape in R2
Narrow Escape in R3
ISBN:9781461476870
Series:e-books
Series:SpringerLink (Online service)
Series:Applied Mathematical Sciences, 0066-5452 : v186
Series:Mathematics and Statistics (Springer-11649)
Keywords: Mathematics , Differential equations, partial , Distribution (Probability theory) , Mathematical physics
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Call number:SPRINGER-2012-9789400755475:ONLINE Show nearby items on shelf
Title:Complexity in Chemistry and Beyond: Interplay Theory and Experiment [electronic resource]
Author(s): Craig Hill
Djamaladdin G. Musaev
Date:2012
Publisher:Springer Netherlands
Size:1 online resource
Note:Proceedings
Note:Springer 2012 Physics and Astronomy eBook collection
Note:Springer e-book platform
ISBN:9789400755475
Series:NATO Science for Peace and Security Series B: Physics and Biophysics
Series:e-books
Keywords: Inorganic Chemistry , Theoretical and Computational Chemistry
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Call number:SPRINGER-2012-9789400744547:ONLINE Show nearby items on shelf
Title:Thin Liquid Films [electronic resource]
Author(s): Ralf Blossey
Date:2012
Publisher:Springer Netherlands
Size:1 online resource
Note:Monograph
Note:Springer 2012 Physics and Astronomy eBook collection
Note:Springer e-book platform
ISBN:9789400744547
Series:Texts and Monographs in Physics
Series:e-books
Keywords: Surface and Interface Science, Thin Films , Physical Chemistry , Surfaces and Interfaces, Thin Films , Soft and Granular Matter, Complex Fluids and Microfluidics , Polymer Sciences , Theoretical, Mathematical and Computational Physics
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Call number:SPRINGER-2012-9783642324772:ONLINE Show nearby items on shelf
Title:Computational Methods for Physicists [electronic resource]
Author(s): Simon Sirca
Martin Horvat
Date:2012
Publisher:Springer Berlin Heidelberg
Size:1 online resource
Note:Graduate/advanced undergraduate textbook
Note:Springer 2012 Physics and Astronomy eBook collection
Note:Springer e-book platform
ISBN:9783642324772
Series:Graduate Texts in Physics
Series:e-books
Keywords: Numerical and Computational Physics , Computational Mathematics and Numerical Analysis , Appl.Mathematics/Computational Methods of Engineering , Theoretical and Computational Chemistry , Computational Science and Engineering
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Call number:SPRINGER-2012-9783642294877:ONLINE Show nearby items on shelf
Title:An Introduction to Kinetic Monte Carlo Simulations of Surface Reactions [electronic resource]
Author(s): A.P.J. Jansen
Date:2012
Publisher:Springer Berlin Heidelberg
Size:1 online resource
Note:Monograph
Note:Springer 2012 Physics and Astronomy eBook collection
Note:Springer e-book platform
ISBN:9783642294877
Series:Lecture Notes in Physics
Series:e-books
Keywords: Surface and Interface Science, Thin Films , Surfaces and Interfaces, Thin Films , Theoretical and Computational Chemistry , Numerical and Computational Physics
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Call number:SPRINGER-2012-9783642235184:ONLINE Show nearby items on shelf
Title:Fundamentals of Time-Dependent Density Functional Theory [electronic resource]
Author(s): Miguel A.L Marques
Neepa T Maitra
Fernando M.S Nogueira
E.K.U Gross
Angel Rubio
Date:2012
Publisher:Berlin, Heidelberg : Springer Berlin Heidelberg
Size:1 online resource
Note:Springer e-book platform
Note:Springer 2013 e-book collections
Note:There have been many significant advances in time-dependent density functional theory over recent years, both in enlightening the fundamental theoretical basis of the theory, as well as in computational algorithms andapplications. This book, as succe ssor to the highly successful volume Time-Dependent Density Functional Theory (Lect. Notes Phys. 706, 2006) brings together for the first time all recent developments in a systematic and coherent way.First, a thorough pedagogical presentation of the funda mental theory is given, clarifying aspects of the original proofs and theorems, as well as presenting fresh developments that extend the theory into new realmssuch asalternative proofs of the original Runge-Gross theorem, open quantum systems, and dispers ion forces to name but a few. Next, all of the basic concepts are introduced sequentially and building in complexity, eventually reaching thelevel of open problems of interest. Contemporary applications of the theory are discussed, from real-time coupled- electron-ion dynamics, to excited-state dynamics and molecular transport. Last but not least, the authors introduce andreview recent advances in computational implementation, including massively parallel architectures and graphical processing units. Speci al care has been taken in editing this volume as a multi-author textbook, following a coherent lineof thought, and making all the relevant connections between chapters and concepts consistent throughout. As such it will prove to be the text of reference i n this field, both for beginners as well as expert researchers and lecturersteaching advanced quantum mechanical methods to model complex physical systems, from molecules to nanostructures, from biocomplexes to surfaces, solids and liquids. From the revie ws of LNP 706: This is a well structured text, with acommon set of notations and a single comprehensive and up-to-date list of references, rather than just a compilation of research articles. Be
Note:Springer eBooks
Contents:Part I Theory and Experiment
Why We Need TDDFT
Part II Basic Theory
PartIII Advanced Concepts
Part IV Real
Time Dynamics
Part V Numerical Aspects
Part VI TDDFT vs Other Theoretical Techniques
ISBN:9783642235184
Series:e-books
Series:SpringerLink (Online service)
Series:Lecture Notes in Physics, 0075-8450 : v837
Series:Physics and Astronomy (Springer-11651)
Keywords: Chemistry
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Call number:SPRINGER-2012-9783642235177:ONLINE Show nearby items on shelf
Title:Fundamentals of Time-Dependent Density Functional Theory [electronic resource]
Author(s): Miguel A.L. Marques
Neepa T. Maitra
Fernando M.S. Nogueira
E.K.U. Gross
Angel Rubio
Date:2012
Publisher:Springer Berlin Heidelberg
Size:1 online resource
Note:Monograph
Note:Springer 2012 Physics and Astronomy eBook collection
Note:Springer e-book platform
ISBN:9783642235177
Series:Lecture Notes in Physics
Series:e-books
Keywords: Numerical and Computational Physics , Theoretical and Computational Chemistry , Condensed Matter Physics , Atomic/Molecular Structure and Spectra
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Call number:SPRINGER-2012-9783642113482:ONLINE Show nearby items on shelf
Title:Modern Thermodynamics [electronic resource]
Author(s): Jitao Wang
Date:2012
Publisher:Springer Berlin Heidelberg
Size:1 online resource
Note:Monograph
Note:Springer 2012 Physics and Astronomy eBook collection
Note:Springer e-book platform
ISBN:9783642113482
Series:e-books
Keywords: Thermodynamics , Physical Chemistry , Characterization and Evaluation of Materials , Theoretical and Computational Chemistry , Statistical Physics, Dynamical Systems and Complexity
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Call number:SPRINGER-2011-9789400704121:ONLINE Show nearby items on shelf
Title:Turbulent Combustion Modeling [electronic resource] : Advances, New Trends and Perspectives
Author(s): Tarek Echekki
Epaminondas Mastorakos
Date:2011
Publisher:Dordrecht : Springer Netherlands
Size:1 online resource
Note:Springer e-book platform
Note:Springer 2013 e-book collections
Note:Turbulent combustion sits at the interface of two important nonlinear, multiscale phenomena: chemistry and turbulence. Its study is extremely timely in view of the need to develop new combustion technologies in order to addresschallenges associated w ith climate change, energy source uncertainty, and air pollution. Despite the fact that modeling of turbulent combustion is a subject that has been researched for a number of years, its complexity implies thatkey issues are still eluding, and a theoretica l description that is accurate enough to make turbulent combustion models rigorous and quantitative for industrial use is still lacking. In this book, prominent experts review most of theavailable approaches in modeling turbulent combustion, with particul ar focus on the exploding increase in computational resources that has allowed the simulation of increasingly detailed phenomena. The relevant algorithms arepresented, the theoretical methods are explained, and various application examples are given. The book is intended for a relatively broad audience, including seasoned researchers and graduate students in engineering, appliedmathematics and computational science, engine designers and computational fluid dynamics (CFD) practitioners, scientists at fundi ng agencies, and anyone wishing to understand the state-of-the-art and the future directions of thisscientifically challenging and practically important field
Note:Springer eBooks
Contents:Preface
Table of ContentsList of Contributors
Part I Introductory Concepts: 1 The Role of Combustion Technology in the 21st Century, by R.W. Bilger
2 Turbulent Combustion: Concepts, Governing Equations and Modeling Strategies, by Tarek Echekki and Epaminondas Mastorakos
Part II Recent Advances and Trends in Turbulent Combustion Models: 3 The Flamelet Approach, by Fabian Mauss
4 RANS and LES Modelling of Premixed Turbulent Combustion, by Stewart Cant
5 The Conditional Moment Closure Model, by A. Kronenburg and E. Mastorakos
6 Transported Probability Density Function Method
ISBN:9789400704121
Series:e-books
Series:SpringerLink (Online service)
Series:Fluid Mechanics and Its Applications, 0926-5112 : v95
Series:Physics and Astronomy (Springer-11651)
Keywords: Engineering , Hydraulic engineering
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Call number:SPRINGER-2011-9780817647896:ONLINE Show nearby items on shelf
Title:Structural Analysis of Complex Networks [electronic resource]
Author(s): Matthias Dehmer
Date:2011
Publisher:Boston : Birkhuser Boston
Size:1 online resource
Note:Springer e-book platform
Note:Springer 2013 e-book collections
Note:Because of the increasing complexity and growth of real-world networks, their analysis by using classical graph-theoretic methods is oftentimes a difficult procedure. As a result, there is a strong need to combine graph-theoreticmethods with mathemat ical techniques from other scientific disciplines, such as machine learning and information theory, in order to analyze complex networks more adequately. Filling a gap in literature, this self-contained bookpresents theoretical and application-oriented re sults to structurally explore complex networks. The work focuses not only on classical graph-theoretic methods, but also demonstrates the usefulness of structural graph theory as a toolfor solving interdisciplinary problems. Special emphasis is given to m ethods related to the following areas: * Applications to biology, chemistry, linguistics, and data analysis * Graph colorings * Graph polynomials * Informationmeasures for graphs * Metrical properties of graphs * Partitions and decompositions * Quantitati ve graph measures Structural Analysis of Complex Networks is suitable for a broad, interdisciplinary readership of researchers,practitioners, and graduate students in discrete mathematics, statistics, computer science, machine learning, artificial intelli gence, computational and systems biology, cognitive science, computational linguistics, and mathematicalchemistry. The book may be used as a supplementary textbook in graduate-level seminars on structural graph analysis, complex networks, or network-based machine learning methods
Note:Springer eBooks
Contents:Preface
A Brief Introduction to Complex Networks and Their Analysis
Partitions of Graphs
Distance in Graphs
Domination in Graphs
Spectrum and Entropy for Infinite Directed Graphs
Application of Infinite Labeled Graphs to Symbolic Dynamical Systems
Decompositions and Factorizations of Complete Graphs
Geodetic Sets in Graphs
Graph Polynomials and Their Applications I: The Tutte Polynomial
Graph Polynomials and Their Applications II: Interrelations and Interpretations
Reconstruction Problems for Graphs, Krawtchouk Polynomials, and Diophantine Equations
Subgraph
ISBN:9780817647896
Series:e-books
Series:SpringerLink (Online service)
Series:Mathematics and Statistics (Springer-11649)
Keywords: Mathematics , Computer Communication Networks , Computational complexity , Data mining , Bioinformatics , Combinatorics
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Call number:SPRINGER-2010-9783642103223:ONLINE Show nearby items on shelf
Title:Recent Advances in Spectroscopy [electronic resource] : Theoretical, Astrophysical and Experimental Perspectives
Author(s): Rajat K Chaudhuri
M.V Mekkaden
A. V Raveendran
A Satya Narayanan
Date:2010
Publisher:Berlin, Heidelberg : Springer Berlin Heidelberg
Size:1 online resource
Note:Springer e-book platform
Note:Springer 2013 e-book collections
Note:In recent years there have been great advances in the fields of laboratory and astronomical spectroscopy. These have been equally matched by large-scale computations using state-of-the-art theoretical methods. The accurate atomicopacities that are av ailable today play a great role in the field of biomedical research using nanotechnology. The proceedings of the International Conference on Recent Advances in Spectroscopy: Theoretical, Experimental andAstrophysical Perspectives contain both invited and contributory papers, which give the most recent results by the peers in the areas of theoretical and experimental atomic physics as well as observational astrophysics
Note:Springer eBooks
Contents:X
Ray Spectroscopy of Highly Charged Ions in Laboratory and Astrophysical Plasmas
X
ray Spectroscopy of Astrophysical and Laboratory Z
pinch Plasmas
Computational Interstellar Chemistry
State specific calculation of dissociation potential energy curve using multireference perturbation theory
CH?O Hydrogen Bonded Complexes Between Chloroform and Cyclic Ketones: Correlation of Spectral Shifts and Complex Stability with Ring Size
Infrared spectroscopic demonstration of cooperative and anti
cooperative effects in C
H
O hydrogen bonds
The Single Surface Beyond Born
Oppenheimer
ISBN:9783642103223
Series:e-books
Series:SpringerLink (Online service)
Series:Astrophysics and Space Science Proceedings, 1570-6591
Series:Physics and Astronomy (Springer-11651)
Keywords: Chemistry, Organic
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Call number:SPRINGER-2010-9783642031632:ONLINE Show nearby items on shelf
Title:Monte Carlo Simulation in Statistical Physics [electronic resource] : An Introduction
Author(s): Kurt Binder
Dieter W Heermann
Date:2010
Publisher:Berlin, Heidelberg : Springer Berlin Heidelberg
Size:1 online resource
Note:Springer e-book platform
Note:Springer 2013 e-book collections
Note:Monte Carlo Simulation in Statistical Physics deals with the computer simulation of many-body systems in condensed-matter physics and related fields of physics, chemistry and beyond, to traffic flows, stock market fluctuations,etc.). Using random num bers generated by a computer, probability distributions are calculated, allowing the estimation of the thermodynamic properties of various systems. This book describes the theoretical background to severalvariants of these Monte Carlo methods and gives a systematic presentation from which newcomers can learn to perform such simulations and to analyze their results. The fifth edition covers Classical as well as Quantum Monte Carlomethods. Furthermore a new chapter on the sampling of free-energy landscapes has been added. To help students in their work a special web server has been installed to host programs and discussion groups(http://wwwcp.tphys.uni-heidelberg.de). Prof. Binder was awarded the Berni J. Alder CECAM Award for Computational Physics 2001 as well as the Boltzmann Medal in 2007
Note:Springer eBooks
Contents:Introduction: Purpose and Scope of This Volume, and Some General Comments
Theoretical Foundation of the Monte Carlo Method and Its Application in Statistical Physics
Guide to Practical Work with the Monte Carlo Method
Some Important Recent Developments of the Monte Carlo Methodology
Quantum Monte Carlo Simulations: An Introduction
Monte Carlo Methods for the Sampling of Free Energy Landscapes
ISBN:9783642031632
Series:e-books
Series:SpringerLink (Online service)
Series:Graduate Texts in Physics, 1868-4513 : v0
Series:Physics and Astronomy (Springer-11651)
Keywords: Chemistry, Physical organic , Mathematical physics , Thermodynamics
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Call number:SPRINGER-2010-9783642017773:ONLINE Show nearby items on shelf
Title:Symplectic Geometric Algorithms for Hamiltonian Systems [electronic resource]
Author(s): Kang Feng
Mengzhao Qin
Date:2010
Publisher:Berlin, Heidelberg : Springer Berlin Heidelberg : Imprint: Springer
Size:1 online resource
Note:Springer e-book platform
Note:Springer 2013 e-book collections
Note:Symplectic Geometric Algorithms for Hamiltonian Systems will be useful not only for numerical analysts, but also for those in theoretical physics, computational chemistry, celestial mechanics, etc. The book generalizes anddevelops the generating func tion and Hamilton-Jacobi equation theory from the perspective of the symplectic geometry and symplectic algebra. It will be a useful resource for engineers and scientists in the fields of quantum theory,astrophysics, atomic and molecular dynamics, climate prediction, oil exploration, etc. Therefore a systematic research and development of numerical methodology for Hamiltonian systems is well motivated. Were it successful, it wouldimply wide-ranging applications
Note:Springer eBooks
Contents:Preliminaries of Differential Manifolds
Symplectic Algebra and Geometry Preliminaries
Hamiltonian Mechanics and Symplectic Geometry
Symplectic Difference Schemes for Hamiltonian Systems
The Generating Function Method
The Calculus of Generating Function and Formal Energy
Symplectic Runge
Kutta Methods
Composition Scheme
Formal Power Series and B
Series
Volume
Preserving Methods for Source
Free Systems
Free Systems
Contact Algorithms for Contact Dynamic Systems
Poisson Bracket and Lie
Poisson Schemes
KAM Theorem of Symplectic Algorithms
Lee
Variational I
ISBN:9783642017773
Series:e-books
Series:SpringerLink (Online service)
Series:Mathematics and Statistics (Springer-11649)
Keywords: Mathematics , Computer science Mathematics , Geometry , Algebraic topology , Quantum theory , Hydraulic engineering
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Call number:SPRINGER-2010-9781441963512:ONLINE Show nearby items on shelf
Title:Molecular Modeling and Simulation: An Interdisciplinary Guide [electronic resource] : An Interdisciplinary Guide
Author(s): Tamar Schlick
Date:2010
Edition:Second
Publisher:New York, NY : Springer New York : Imprint: Springer
Size:1 online resource
Note:Springer e-book platform
Note:Springer 2013 e-book collections
Note:Review of previous edition: I am often asked by physicists, mathematicians and engineers to recommend a book that would be useful to get them started in computational molecular biology. I am also often approached by mycolleagues in computational biol ogy to recommend a solid textbook for a graduate course in the area. Tamar Schlick has written the book that I will be recommending to both groups. Tamar has done an amazing job in writing a book that isboth suitably accessible for beginners, and suitably rigorous for experts. J. J. Collins, Boston University, USA. Molecular modeling is now an important branch of modern biochemistry. Schlick has brought her uniqueinterdisciplinary expertise to the subject. One of the most distinguished characteristics of the book is that it makes the reading really fun and the material accessible. a crystal clear logical presentation . Schlickhas added a unique title to the collection of mathematical biology textbooks . a valuable introduction to the field of compu tational molecular modeling. It is a unique textbook . Hong Qian, SIAM Review, 2005
Note:Springer eBooks
Contents:Biomolecular Structure and Modeling: Historical Perspective
Biomolecular Structure and Modeling: Problem and Application Perspective
Protein Structure Introduction
Protein Structure Hierarchy
Nucleic Acids Structure Minitutorial
Topics in Nucleic Acids Structure
Theoretical and Computational Approaches to Biomolecular Structure
Force Fields
Nonbonded Computations
Multivariate Minimization in Computational Chemistry
Monte Carlo Techniques
Molecular Dynamics: Basics
Molecular Dynamics: Further Topics
Similarity and Diversity in Chemical Design
Epilogue
ISBN:9781441963512
Series:e-books
Series:SpringerLink (Online service)
Series:Interdisciplinary Applied Mathematics, 0939-6047 : v21
Series:Mathematics and Statistics (Springer-11649)
Keywords: Mathematics , Biochemical engineering , Computer simulation , Biochemistry
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Call number:SPRINGER-2008-9783540751175:ONLINE Show nearby items on shelf
Title:Computational Multiscale Modeling of Fluids and Solids [electronic resource] : Theory and Applications
Author(s): Martin Oliver Steinhauser
Date:2008
Publisher:Berlin, Heidelberg : Springer Berlin Heidelberg
Size:1 online resource
Note:Springer e-book platform
Note:Springer 2013 e-book collections
Note:The idea of the book is to provide a comprehensive overview of computational physics methods and techniques, that are used for materials modeling on different length and time scales. Each chapter first provides an overview of thephysical basic princi ples which are the basis for the numerical and mathematical modeling on the respective length-scale. The book includes the micro-scale, the meso-scale and the macro-scale. The chapters follow this classification.The book will explain in detail many tricks of the trade of some of the most important methods and techniques that are used to simulate materials on the perspective levels of spatial and temporal resolution. Case studies areoccasionally included to further illustrate some methods or theoretical co nsiderations. Example applications for all techniques are provided, some of which are from the authors own contributions to some of the research areas.Methods are explained, if possible, on the basis of the original publications but also references to sta ndard text books established in the various fields are mentioned
Note:Springer eBooks
Contents:Part 1 Fundamentals: Introduction
Multiscale Computational Materials Science
Mathematical and Physical Prerequisites
Fundamentals of Numerical Simulation
Part II Computational Methods on Multiscales: Computational Methods on Electronic/Atomistic Scale
Computational Methods on Microscopic/Mesoscopic Scale
Computational Methods on Atomistic/Microscopic Scale
Computational Methods on Microscopic/Mesoscopic Scale
Perspectives in Multiscale Materials Modeling
Further Reading
Mathematical Definitions
Sample Code for the Main Routine of a MD Simulation
A Sample Mak
ISBN:9783540751175
Series:e-books
Series:SpringerLink (Online service)
Series:Physics and Astronomy (Springer-11651)
Keywords: Chemistry, Physical organic , Mathematical physics , Thermodynamics
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Call number:SPRINGER-2007-9780817645809:ONLINE Show nearby items on shelf
Title:A Beginners Guide to Graph Theory [electronic resource]
Author(s): W. D Wallis
Date:2007
Edition:Second Edition
Publisher:Boston, MA : Birkhuser Boston
Size:1 online resource
Note:Springer e-book platform
Note:Springer 2013 e-book collections
Note:Graph theory continues to be one of the fastest growing areas of modern mathematics because of its wide applicability in such diverse disciplines as computer science, engineering, chemistry, management science, social science,and resource planning. G raphs arise as mathematical models in these fields, and the theory of graphs provides a spectrum of methods of proof. This concisely written textbook is intended for an introductory course in graph theory forundergraduate mathematics majors or advanced un dergraduate and graduate students from the many fields that benefit from graph-theoretic applications. Key features: * Introductory chapters present the main ideas and topics in graphtheorywalks, paths and cycles, radius, diameter, eccentricity, cuts and connectivity, trees * Subsequent chapters examine specialized topics and applications * Numerous examples and illustrations * Comprehensive index andbibliography, with suggested literature for more advanced material New to the second edition: * New chapte rs on labeling and on communications networks and small-worlds * Expanded beginners material in the early chapters, includingmore examples, exercises, hints and solutions to key problems * Many additional changes, improvements, and corrections throughout resulting from classroom use and feedback Striking a balance between a theoretical and practical approachwith a distinctly applied flavor, this gentle introduction to graph theory consists of carefully chosen topics to develop graph-theoretic reasoning fo r a mixed audience. Familiarity with the basic concepts of set theory, along withsome background in matrices and algebra, and a little mathematical maturity are the only prerequisites. ----- From a review of the first edition: Altogether the book gives a comprehensive introduction to graphs, their theory andtheir applicationThe use of the text is optimized when the exercises are solved. The obtained skills improve understanding of graph theory
Note:Springer eBooks
Contents:Graphs
Walks, Paths and Cycles
Connectivity
Trees
Linear Spaces Associated with Graphs
Factorizations
Graph Colorings
Planarity
Labeling
Ramsey Theory
Digraphs
Critical Paths
Flows in Networks
Computational Considerations
Communications Networks and Small
Worlds
ISBN:9780817645809
Series:e-books
Series:SpringerLink (Online service)
Series:Mathematics and Statistics (Springer-11649)
Keywords: Mathematics , Algebra , Matrix theory , Combinatorics , Logic, Symbolic and mathematical
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Call number:SPRINGER-2007-9780387350691:ONLINE Show nearby items on shelf
Title:Relativistic Quantum Theory of Atoms and Molecules [electronic resource] : Theory and Computation
Author(s): I. P Grant
Date:2007
Publisher:New York, NY : Springer New York
Size:1 online resource
Note:Springer e-book platform
Note:Springer 2013 e-book collections
Note:This book presents a unified approach to modern relativistic theory of the electronic structure of atoms and molecules which will provide experimental and theoretical scientists and graduate students with a range of powerfulcomputational tools for a growing range of physical, chemical, technological and biochemical applications. Starting from its foundations in quantum electrodynamics, the book contains a careful account of relativistic atomic andmolecular structure based on Dirac's relativistic Hami ltonian, and the numerical algorithms implemented by modern computer programs. The relativistic atomic structure code GRASP, which can compute atomic energy levels, radiativetransition rates and other atomic properties using the multiconfigurational Dirac -Hartree-Fock or relativistic configuration interaction methods, is reviewed along with the relativistic R-matrix code DARC, which is used for the highprecision modelling of the interactions of atoms and ions with photons and electrons. The recently devel oped BERTHA relativistic molecular structure code, the first to exploit fully the symmetry properties of Dirac 4-component spinors,provides a new resource for studying the properties of molecules, atomic clusters and other materials, especially those cont aining heavy elements for which a relativistic model is essential
Note:Springer eBooks
Contents:Relativity in atomic and molecular physics
Relativity in atomic and molecular physics
Foundations
Relativistic wave equations for free particles
The Dirac Equation
Quantum electrodynamics
Computational atomic and molecular structure
Analysis and approximation of Dirac Hamiltonians
Complex atoms
Computation of atomic structures
Computation of atomic properties
Continuum processes in many
electron atoms
Molecular structure methods
Relativistic calculation of molecular properties
Frequently used formulae and data
Frequently used formulae and data
Su
ISBN:9780387350691
Series:e-books
Series:SpringerLink (Online service)
Series:Springer Series on Atomic, Optical, and Plasma Physics, 1615-5653 : v40
Series:Physics and Astronomy (Springer-11651)
Keywords: Chemistry, Physical organic , Molecular structure
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Call number:SPRINGER-2005-9780387289793:ONLINE Show nearby items on shelf
Title:Prime Numbers [electronic resource] : A Computational Perspective
Author(s): Richard Crandall
Carl Pomerance
Date:2005
Edition:Second Edition
Publisher:New York, NY : Springer New York
Size:1 online resource
Note:Springer e-book platform
Note:Springer 2013 e-book collections
Note:Prime numbers beckon to the beginner, as the basic notion of primality is accessible even to children. Yet, some of the simplest questions about primes have confounded humankind for millennia. In the new edition of this highlysuccessful book, Richard Crandall and Carl Pomerance have provided updated material on theoretical, computational, and algorithmic fronts. New results discussed include the AKS test for recognizing primes, computational evidence forthe Riemann hypothesis, a fast binary algorithm for the greatest common divisor, nonuniform fast Fourier transforms, and more. The authors also list new computational records and survey new developments in the theory of prime numbers,including the magnificent proof that there are arbitrarily long arit hmetic progressions of primes, and the final resolution of the Catalan problem. Numerous exercises have been added. Richard Crandall currently holds the title of AppleDistinguished Scientist, having previously been Apple's Chief Cryptographer, the Chief S cientist at NeXT, Inc., and recipient of the Vollum Chair of Science at Reed College. Though he publishes in quantum physics, biology, mathematics,and chemistry, and holds various engineering patents, his primary interest is interdisciplinary scientific c omputation. Carl Pomerance is the recipient of the Chauvenet and Conant Prizes for expository mathematical writing. He iscurrently a mathematics professor at Dartmouth College, having previously been at the University of Georgia and Bell Labs. A popular l ecturer, he is well known for his research in computational number theory, his efforts havingproduced important algorithms now in use. From the reviews of the first edition: Destined to become a definitive textbook conveying the most modern computational ideas about prime numbers and factoring, this book will stand as anexcellent reference for this kind of computation, and thus be of interest to both educators and researchers. <- L'Enseignement Math
Note:Springer eBooks
Contents:Preface
Primes!
Number
Theoretical Tools
Recognizing Primes and Composites
Primality Proving
Exponential Factoring Algorithms
Subexponential Factoring Algorithms
Elliptic Curve Arithmetic
The Ubiquity of Prime Numbers
Fast Algorithms for Large
Integer Arithmetic
Book Pseudocode
References
Index
ISBN:9780387289793
Series:e-books
Series:SpringerLink (Online service)
Series:Mathematics and Statistics (Springer-11649)
Keywords: Mathematics , Number theory
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Call number:SPRINGER-2005-9780387281452:ONLINE Show nearby items on shelf
Title:Quantum Dynamics with Trajectories [electronic resource] : Introduction to Quantum Hydrodynamics
Author(s): Robert E Wyatt
Date:2005
Publisher:New York, NY : Springer New York
Size:1 online resource
Note:Springer e-book platform
Note:Springer 2013 e-book collections
Note:Remarkable progress has recently been made in the application of quantumtrajectories as the computational tool for solving quantum mechanical problems. This is the first book to present these developments in the broader contextof the hydrodynamical f ormulation of quantum dynamics. In addition to a thorough discussion of the quantum trajectory equations of motion, there is considerable material that deals with phase space dynamics, adaptive moving grids,electronic energy transfer, and trajectories for stationary states. On the pedagogical side, a number of sections of this book will be accessible to students who have had an introductory quantum mechanics course. There is alsoconsiderable material for advanced researchers, and chapters in the book cove r both methodology and applications. The book will be useful to students and researchers in physics, chemistry, applied math, and computational dynamics.This excellent book covers a wide range of topics associated with Quantum Hydrodynamics. It's an excel lent survey of the history, current state-of-the-field, and future research directions. Brian Kendrick,Theoretical Division, LosAlamos National Laboratory, Los Alamos,NM, USA The book is unique in that it addresses with equal expertise, computational meth odology and theoretical connections at the interface between de Broglie-Bohm theory and phase space momentmethods.A highly didactic text, to be recommended to graduate students and researchers in physics and chemistry. Irene Burghardt,Departement de chimi e, Ecole Normale Superieure, Paris, France Wyatt shows how one can use the ideas drawnfrom Bohm's interpretation to develop new and efficient computational methods for both time dependent and time independent quantum mechanics.This is THE definitive text on practical Bohmian mechanics. Eric Bittner,Department ofChemistry, University of Houston, Tx, USA
Note:Springer eBooks
Contents:Trajectory approaches to quantum mechanics
The Bohm hydrodynamic equations
The phase space route to the hydrodynamic equations
Quantum trajectories
Fitting methods for computation of spatial derivatives
Applications to wavepacket tunneling and decoherence
Application to electronic transitions
The initial value representation and correlation functions
Mixed quantum
classical dynamics
Moving adaptive grids
Trajectory approach to the density matrix
Derivative propagation along quantum trajectories
Quantum dynamics in phase space
Non
Bohmain trajectory approach
ISBN:9780387281452
Series:e-books
Series:SpringerLink (Online service)
Series:Interdisciplinary Applied Mathematics, 0939-6047 : v28
Series:Mathematics and Statistics (Springer-11649)
Keywords: Mathematics , Chemistry, Physical organic , Computer science Mathematics , Quantum theory , Fluids , Plasma (Ionized gases) , Hydraulic engineering
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Call number:SPRINGER-2004-9783662091562:ONLINE Show nearby items on shelf
Title:Orientations and Rotations Computations in Crystallographic Textures
Author(s): Adam Morawiec
Date:2004
Size:1 online resource (200 p.)
Note:10.1007/978-3-662-09156-2
Contents:1 Preliminaries -- 2 Parameterizations -- 3 Geometry of the Rotation Space -- 4 More on Small Orientation Changes -- 5 Some Statistical Issues -- 6 Symmetry -- 7 Misorientation Angle and Axis Distributions -- 8 Crystalline Interfaces
and Symmetry -- 9 Crystallographic Textures -- 10 Diffraction Geometry -- 11 Effective Elastic Properties of Polycrystals -- References
ISBN:9783662091562
Series:eBooks
Series:SpringerLink (Online service)
Series:Springer eBooks
Keywords: Physics , Chemistry, Physical and theoretical , Mineralogy , Geometry , Crystallography , Materials science , Physics , Crystallography , Theoretical and Computational Chemistry , Characterization and Evaluation of Materials , Mineralogy , Geometry
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Call number:SPRINGER-2004-9783662088203:ONLINE Show nearby items on shelf
Title:Molecular Physics and Elements of Quantum Chemistry Introduction to Experiments and Theory
Author(s): Hermann Haken
Date:2004
Edition:Second Enlarged Edition
Size:1 online resource (596 p.)
Note:10.1007/978-3-662-08820-3
Contents:1 Introduction -- 2 Mechanical Properties of Molecules, Their Size and Mass -- 3 Molecules in Electric and Magnetic Fields -- 4 Introduction to the Theory of Chemical Bonding -- 5 Symmetries and Symmetry Operations: A First Overview
-- 6 Symmetries and Symmetry Operations. A Systematic Approach -- 7 The Multi-Electron Problem in Molecular Physics and Quantum Chemistry -- 8 Overview of Molecular Spectroscopy Techniques -- 9 Rotational Spectroscopy -- 10 Vibrational
Spectroscopy -- 11 The Quantum-Mechanical Treatment of Rotational and Vibrational Spectra -- 12 Raman Spectra -- 13 Electronic States -- 14 The Electronic Spectra of Molecules -- 15 Further Remarks on the Techniques of Molecular
Spectroscopy -- 16 The Interaction of Molecules with Light: Quantum-Mechanical Treatment -- 17 Theoretical Treatment of the Raman Effect and the Elements of Nonlinear Optics -- 18 Nuclear Magnetic Resonance -- 19 Electron Spin
Resonance -- 20 Macromolecules, Biomolecules, and Supermolecules -- 21 Experiments on and with Single Molecules -- 22 Molecular Electronics and Other Applications -- A. 1 The Calculation of Expectation Values Using Wavefunctions
Represented by Determinants -- A.l.l Calculation of Determinants -- A.1.2 Calculation of Expectation Values -- A.2 Calculation of the Density of Radiation -- Fundamental Constants of Atomic Physics (Inside Front Cover) -- Energy
Conversion Table (Inside Back Cover)
ISBN:9783662088203
Series:eBooks
Series:SpringerLink (Online service)
Series:Springer eBooks
Keywords: Physics , Chemistry, Physical and theoretical , Quantum physics , Atoms , Quantum computers , Spintronics , Physics , Atomic, Molecular, Optical and Plasma Physics , Theoretical and Computational Chemistry , Quantum Physics , Quantum Information Technology, Spintronics
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Call number:SPRINGER-2004-9783662073582:ONLINE Show nearby items on shelf
Title:Fuzzy Randomness Uncertainty in Civil Engineering and Computational Mechanics
Author(s): Bernd Möller
Date:2004
Size:1 online resource (336 p.)
Note:10.1007/978-3-662-07358-2
Contents:1 Introduction -- 2 Mathematical Basics for the Formal Description of Uncertainty -- 3 Description of Uncertain Structural Parameters as Fuzzy Variables -- 4 Description of Uncertain Structural Parameters as Fuzzy Random Variables --
5 Fuzzy and Fuzzy Stochastic Structural Analysis -- 6 Fuzzy Probabilistic Safety Assessment -- 7 Structural Design Based on Clustering -- References
ISBN:9783662073582
Series:eBooks
Series:SpringerLink (Online service)
Series:Springer eBooks
Keywords: Mathematics , Probabilities , Statistics , Computational intelligence , Mechanics , Mechanics, Applied , Buildings , Building , Construction , Engineering, Architectural , Mathematics , Probability Theory and Stochastic Processes , Theoretical and Applied Mechanics , Computational Intelligence , Statistics for Engineering, Physics, Computer Science, Chemistry and Earth Scien , Building Construction
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Call number:SPRINGER-2004-9783662054185:ONLINE Show nearby items on shelf
Title:Advanced Quantum Mechanics
Author(s): Franz Schwabl
Date:2004
Edition:Second Edition
Size:1 online resource (406 p.)
Note:10.1007/978-3-662-05418-5
Contents:I. Nonrelativistic Many-Particle Systems -- 1. Second Quantization -- 2. Spin-1/2 Fermions -- 3. Bosons -- 4. Correlation Functions, Scattering, and Response -- II. Relativistic Wave Equations -- 5. Relativistic Wave Equations and
their Derivation -- 6. Lorentz Transformations and Covariance of the Dirac Equation -- 7. Orbital Angular Momentum and Spin -- 8. The Coulomb Potential -- 9. The Foldy—Wouthuysen Transformation and Relativistic Corrections -- 10.
Physical Interpretation of the Solutions to the Dirac Equation -- 11. Symmetries and Further Properties of the Dirac Equation -- III. Relativistic Fields -- 12. Quantization of Relativistic Fields -- 13. Free Fields -- 14. Quantization
of the Radiation Field -- 15. Interacting Fields, Quantum Electrodynamics -- A Alternative Derivation of the Dirac Equation -- B Dirac Matrices -- B.1 Standard Representation -- B.2 Chiral Representation -- B.3 Majorana Representations
-- C Projection Operators for the Spin -- C.1 Definition -- C.2 Rest Frame -- D The Path-Integral Representation of Quantum Mechanics 385 E Covariant Quantization of the Electromagnetic Field, the Gupta—Bleuler Method -- E.1
Quantization and the Feynman Propagator -- E.2 The Physical Significance of Longitudinal and Scalar Photons -- E.3 The Feynman Photon Propagator -- E.4 Conserved Quantities -- F Coupling of Charged Scalar Mesons to the Electromagnetic
Field
ISBN:9783662054185
Series:eBooks
Series:SpringerLink (Online service)
Series:Springer eBooks
Keywords: Physics , Chemistry, Physical and theoretical , Quantum physics , Quantum computers , Spintronics , Physics , Quantum Physics , Theoretical and Computational Chemistry , Quantum Information Technology, Spintronics
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Call number:SPRINGER-2004-9783642593390:ONLINE Show nearby items on shelf
Title:Scientific Computing with MATLAB
Author(s): Alfio Quarteroni
Date:2004
Size:1 online resource (257 p.)
Note:10.1007/978-3-642-59339-0
Contents:1. What can’t be ignored -- 1.1 Real numbers -- 1.2 Complex numbers -- 1.3 Matrices -- 1.4 Real functions -- 1.5 To err is not only human -- 1.6 A few more words about MATLAB -- 1.7 What we haven’t told you -- 1.8 Exercises -- 2.
Nonlinear equations -- 2.1 The bisection method -- 2.2 The Newton method -- 2.3 Fixed point iterations -- 2.4 What we haven’t told you -- 2.5 Exercises -- 3. Approximation of functions and data -- 3.1 Interpolation -- 3.2 Piecewise
linear interpolation -- 3.3 Approximation by spline functions -- 3.4 The least squares method -- 3.5 What we haven’t told you -- 3.6 Exercises -- 4. Numerical differentiation and integration -- 4.1 Approximation of function derivatives
-- 4.2 Numerical integration -- 4.3 Simpson adaptive formula -- 4.4 What we haven’t told you -- 4.5 Exercises -- 5. Linear systems -- 5.1 The LU factorization method -- 5.2 The technique of pivoting -- 5.3 How accurate is the LU
factorization? -- 5.4 How to solve a tridiagonal system -- 5.5 Iterative methods -- 5.5.1 How to construct an iterative method -- 5.6 When should an iterative method be stopped? -- 5.7 Richardson method -- 5.8 What we haven’t told you
-- 5.9 Exercises -- 6. Eigenvalues and eigenvectors -- 6.1 The power method -- 6.2 Generalization of the power method -- 6.3 How to compute the shift -- 6.4 Computation of all the eigenvalues -- 6.5 What we haven’t told you -- 6.6
Exercises -- 7. Ordinary differential equations -- 7.1 The Cauchy problem -- 7.2 Euler methods -- 7.3 The Crank-Nicolson method -- 7.4 Zero-stability -- 7.5 Stability on unbounded intervals -- 7.6 High order methods -- 7.7 The
predictor-corrector methods -- 7.8 Systems of differential equations -- 7.9 What we haven’t told you -- 7.10 Exercises -- 8. Numerical methods for boundary-value problems -- 8.1 Approximation of boundary-value problems -- 8.2 Finite
differences in 2 dimensions -- 8.3 What we haven’t told you -- 8.4 Exercises -- 9. Solutions of the exercises -- 9.1 Chapter 1 -- 9.2 Chapter 2 -- 9.3 Chapter 3 -- 9.4 Chapter 4 -- 9.5 Chapter 5 -- 9.6 Chapter 6 -- 9.7 Chapter 7 -- 9.8
Chapter 8 -- Index of MATLAB Programs
ISBN:9783642593390
Series:eBooks
Series:SpringerLink (Online service)
Series:Springer eBooks
Series:Texts in Computational Science and Engineering: 2
Keywords: Mathematics , Chemistry, Physical and theoretical , Computer mathematics , Visualization , Physics , Computational intelligence , Mathematics , Computational Science and Engineering , Numerical and Computational Physics , Computational Intelligence , Theoretical and Computational Chemistry , Visualization
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Call number:SPRINGER-2004-9781402029493:ONLINE Show nearby items on shelf
Title:The Design of a Practical Enterprise Safety Management System
Author(s): Hossam A Gabbar
Date:2004
Size:1 online resource (231 p.)
Note:10.1007/978-1-4020-2949-3
Contents:Overview -- Background -- Theoretical & Methodological Framework -- Plant Enterprise Engineering Environment (PEEE) -- Plant Enterprise Engineering Environment (PEEE) -- Plant Modeling Environment (Cape-Mode) -- Computer-Aided Plant
Enterprise Safety Management System (CAPESAFE) -- Analysis Of Cape-Safe -- Cape-Safe Design -- Utilization -- Mechanism -- Case Studies -- Wrapping Up -- Discussion -- Conclusion -- Recommendations And Future Research
ISBN:9781402029493
Series:eBooks
Series:SpringerLink (Online service)
Series:Springer eBooks
Keywords: Physics , Chemoinformatics , Chemistry , Computer-aided engineering , Complexity, Computational , Quality control , Reliability , Industrial safety , Physics , Physics, general , Computer Applications in Chemistry , Safety in Chemistry, Dangerous Goods , Computer-Aided Engineering (CAD, CAE) and Design , Complexity , Quality Control, Reliability, Safety and Risk
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Call number:SPRINGER-2004-9781402023514:ONLINE Show nearby items on shelf
Title:Polytropes Applications in Astrophysics and Related Fields
Author(s): G. P Horedt
Date:2004
Size:1 online resource (724 p.)
Note:10.1007/1-4020-2351-0
Contents:Polytropic and Adiabatic Processes -- Undistorted Polytropes -- Distorted Polytropes -- Relativistic Polytropes -- Stability and Oscillations -- Further Applications to Polytropes
ISBN:9781402023514
Series:eBooks
Series:SpringerLink (Online service)
Series:Springer eBooks
Series:Astrophysics and Space Science Library : 306
Keywords: Physics , Physical chemistry , Observations, Astronomical , Astronomy , Astrophysics , Physics , Astronomy, Observations and Techniques , Theoretical, Mathematical and Computational Physics , Astrophysics and Astroparticles , Physical Chemistry
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Call number:SPRINGER-2004-9781402021541:ONLINE Show nearby items on shelf
Title:Quantum Theory of the Solid State: An Introduction
Author(s): Lev Kantorovich
Date:2004
Size:1 online resource (626 p.)
Note:10.1007/978-1-4020-2154-1
Contents:1 Structures -- 2 The reciprocal lattice and X-ray diffraction -- 3 Binding in Crystals -- 4 Atomic vibrations -- 5 Electrons in a periodic potential -- 6 Magnetism -- 7 Superconductivity -- 8 Dielectric materials -- 9 *Modern methods
of electronic structure calculations
ISBN:9781402021541
Series:eBooks
Series:SpringerLink (Online service)
Series:Springer eBooks
Series:Fundamental Theories of Physics : 136
Keywords: Physics , Physical chemistry , Condensed matter , Statistical physics , Dynamical systems , Materials science , Physics , Condensed Matter Physics , Statistical Physics, Dynamical Systems and Complexity , Physical Chemistry , Theoretical, Mathematical and Computational Physics , Characterization and Evaluation of Materials
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Call number:SPRINGER-2004-9781402021008:ONLINE Show nearby items on shelf
Title:Exponential Fitting
Author(s): Liviu Gr Ixaru
Date:2004
Size:1 online resource (308 p.)
Note:10.1007/978-1-4020-2100-8
ISBN:9781402021008
Series:eBooks
Series:SpringerLink (Online service)
Series:Springer eBooks
Series:Mathematics and Its Applications : 568
Keywords: Mathematics , Chemistry, Physical and theoretical , Numerical analysis , Computer mathematics , Algorithms , Physics , Mathematics , Computational Mathematics and Numerical Analysis , Theoretical, Mathematical and Computational Physics , Algorithms , Numeric Computing , Theoretical and Computational Chemistry
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Call number:SPRINGER-2003-9783642557644:ONLINE Show nearby items on shelf
Title:Nuclides.net An Integrated Environment for Computations on Radionuclides and their Radiation
Author(s): Joseph Magill
Date:2003
Size:1 online resource (271 p.)
Note:10.1007/978-3-642-55764-4
Contents:A Quick Tour of Nuclides.net -- 1. Getting Started with Nuclides.net -- 2. Background on Radioactivity -- 3. Nuclide Explorer -- 4. Decay Engine, ? -- 5. Dosimetry and Shielding, ? -- 6. Virtual Nuclides, ? -- 7. Fission Products and
Yields, ? -- 8. The Universal Nuclide Chart -- 9. Applications of Radionuclides -- Recommended Reading and Weblinks -- Reading -- Weblinks -- Appendices -- Appendix 1: The Atomic Mass Unit -- Appendix 2: The Nuclides.net Database --
Appendix 3: Tables of Mass Attenuation Coefficients -- Appendix 4: Tables of Buildup Factors -- Appendix 5: Physical Constants, Conversion Factors, Prefixes, Greek Alphabet -- Appendix 6: Table of the Elements -- Appendix 7: Actinide
Critical Masses
ISBN:9783642557644
Series:eBooks
Series:SpringerLink (Online service)
Series:Springer eBooks
Keywords: Physics , Chemistry, Physical and theoretical , Nuclear medicine , Agriculture , Forestry , Nuclear fusion , Physics , Nuclear Fusion , Nuclear Medicine , Agriculture , Forestry , Theoretical and Computational Chemistry
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Call number:SPRINGER-2003-9783642557538:ONLINE Show nearby items on shelf
Title:Mathematics — Key Technology for the Future Joint Projects between Universities and Industry
Author(s):
Date:2003
Size:1 online resource (732 p.)
Note:10.1007/978-3-642-55753-8
Contents:I. Motors, Vehicles -- Synthesis of Automotive Cams Using Multiple Shooting-SQP Methods for Constrained Optimization -- Numerical Optimization of Scavenging in Two-Stroke Engines with Transfer Ducts, an Exhaust Port and a Moving
Piston -- A Numerical Tool for Flow Simulation in a Wankel Motor -- An Efficient Navier-Stokes Solver for Automotive Aerodynamics -- Numerical Simulation of Exhaust Systems in Car Industry — Efficient Calculation of Radiation Heat
Transfer -- Combinatorial Optimization Techniques for Three-Dimensional Arrangement Problems -- Simulation of Test-drives of Automobiles at Driving Limit -- An Optimal Control Approach To Real-Time Vehicle Guidance -- Theoretical and
Experimental Studies of an S-Catamaran -- II. Environmental Technology -- Robust Error Estimators for Interface Problems Occuring in Transport Processes in Porous Media -- Modelling and Simulation of a Planned Bio-Chemical in situ
Remediation -- Influence of Surfactants on Spreading of Contaminants and Soil Remediation -- Improvement of Environment Observing Remote Sensing Devices by Regularization Techniques -- III. Flow, Transport and Reactions in
Technological Processes -- Stability Analysis for Reactors from Chemical Industry -- Heterogeneous Dynamic Process Flowsheet Simulation of Chemical Plants -- Numerical Simulation of Annular Chromatography -- Numerical Methods for
Parameter Estimation in Bingham-Fluids -- A Viscoelastic Turbulence Model Based on Renormalization Group Theory -- Modelling and Simulation of Capacitor Impulse Welding -- Analysis of Transport Processes for Layered Porous Materials
Used in Industrial Applications -- Modelling and Numerical Simulation of District Heating Networks with Time-Saving Solution Methods -- Sensitivity and Robustness Analysis for Construction and Monitoring of Tubine-Generator Shafts --
IV. Optics and Sensors -- Adaptive Multigrid Methods for the Vectorial Maxwell Eigenvalue Problem for Optical Waveguide Design -- Direct and Inverse Problems for Diffractive Structures — Optimization of Binary Gratings -- Computation
of Electromagnetic Fields for a Humidity Sensor -- V. Crystal Growth, Semiconductors -- Simulation of Industrial Crystal Growth by the Vertical Bridgman Method -- Numerical Simulation and Control of Industrial Crystal Growth Processes
-- Optimal Control of Sublimation Growth of SiC Crystals -- Mathematical Modelling and Numerical Simulation of Semiconductor Detectors -- Optimal Design of High Power Electronic Devices by Topology Optimization -- Modelling and
Simulation of Strained Quantum Wells in Semiconductor Lasers -- VI. Electronic Circuits -- Efficient Analysis of Oscillatory Circuits -- Modelling and Simulation of Power Devices for High-Voltage Integrated Circuits -- Finding
Beneficial DAE Structures in Circuit Simulation -- CHORAL — a Charge-Oriented Algorithm for the Numerical Integration of Electrical Circuits -- VII. Tomography, Image Analysis and Visualisation -- Reconstructing Crystalline Structures
from Few Images Under High Resolution Transmission Electron Microscopy -- Measurement of Paint Layer Thickness with Photothermal Infrared Radiometry -- Spatio-Temporal Current Density Reconstruction from EEG-/MEG-Data -- Signal
Correction in NMR Spectroscopy -- On Scattering of Ultrasonic Waves -- Smoothing of Tomographic Data and Hybrid Volume-Surface Visualisation -- Video Coding with Adaptive Vector Quantization and Rate Distortion Optimization -- VIII.
Statistical Methods in Medical Applications -- The Application of Statistical Methods of Meta-Analysis for Heterogeneity Modelling in Medicine and Pharmacy, Psychology, Quality Control and Assurance -- An Application for the Analysis
of Human Tremor Time-Series -- IX. Optimization in Design and Production -- Free Material Optimization -- Automatic Layout and Labelling of State Diagrams -- Optimization Problems in a Semi-Automatic Device for Cutting Leather --
Stochastic Programming for Power Production and Trading Under Uncertainty -- Scheduling Scarce Resources in Chemical Engineering -- X. Optimization in Traffic and Communication -- Duty Scheduling in Public Transit -- Rotation Planning
for the Continental Service of a European Airline -- Computer Aided Scheduling of Switching Engines -- Train Schedule Optimization in Public Rail Transport -- An Integrated Planning Approach for Cellular Radio Networks -- Author Index
ISBN:9783642557538
Series:eBooks
Series:SpringerLink (Online service)
Series:Springer eBooks
Keywords: Mathematics , Chemometrics , Computer graphics , Computer mathematics , Visualization , Statistics , Applied mathematics , Engineering mathematics , Mathematics , Computational Science and Engineering , Visualization , Appl.Mathematics/Computational Methods of Engineering , Math. Applications in Chemistry , Computer Imaging, Vision, Pattern Recognition and Graphics , Statistics for Life Sciences, Medicine, Health Sciences
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Call number:SPRINGER-2003-9783642555268:ONLINE Show nearby items on shelf
Title:High Performance Computing in Science and Engineering, Munich 2002 Transactions of the First Joint HLRB and KONWIHR Status and Result Workshop, October 10–11, 2002, Technical University of Munich, Germany
Author(s):
Date:2003
Size:1 online resource (505 p.)
Note:10.1007/978-3-642-55526-8
Contents:I High Performance Systems -- TeraFlops Computing with the Hitachi SR8000-F1: From Vision to Reality -- II Computational Fluid Dynamics -- Numerical Prediction of Deformations and Oscillations of Wind-Exposed Structures -- Large-Eddy
and Detached-Eddy Simulation of the Flow Around High-Lift Configurations -- Direct Simulation with the Lattice Boltzmann Code BEST of Developed Turbulence in Channel Flows -- DNS of Homogeneous Shear Flow and Data Analysis for the
Development of a Four-Equation Turbulence Model -- Large-Eddy Simulations of High Reynolds Number Flow Around a Circular Cylinder -- Numerical Simulation of Passively Controlled Turbulent Flows over Sharp—Edged and Smoothly Contoured
Backward—Facing Steps -- Parallel Single- and Multiphase CFD-Applications Using Lattice Boltzmann Methods -- Models of Type Ia Supernova Explosions -- Direct Numerical Simulation of Boundary Layer Separation along a Curved Wall with
Oscillating Oncoming Flow -- III Biosciences -- QM/MM Study of Rhodopsin -- Simulation of Neuronal Map Formation in the Primary Visual Cortex -- IV Chemistry -- A User-Oriented Set of Quantum Chemical Benchmarks -- Structure,
Energetics, and Spectroscopy of Models for Enzyme Cofactors -- Ruthenium Dioxide, a Versatile Oxidation Catalyst: First Principles Analysis -- Theoretical Studies of Structures of Vanadate Complexes in Aqueous Solution -- V Solid-State
Physics -- Large Scale Car-Parrinello Simulation of Fully Hydrated DNA -- Metal-Insulator Transitions and Realistic Modelling of Correlated Electron Systems -- Monte Carlo Studies of Three-Dimensional Bond-Diluted Ferromagnets --
Microwave Ionisation of Non-Hydrogenic Alkali Rydberg States -- Density-Functional Calculation and Inelastic Neutron Scattering of Structural and Dynamical Properties in Fluoride Crystals -- Optical Response of Semiconductor Surfaces
and Molecules Calculated from First Principles -- Phase Fluctuations and the Role of Electron Phonon Coupling in High-TcSuperconductors -- The Cluster-Perturbation-Theory and its Application to Strongly-Correlated Materials --
Object-Oriented C++ Class Library for Many Body Physics on Finite Lattices and a First Application to High-Temperature Superconductivity -- From Fermi Liquid to Non-Fermi Liquid Physics — Influence of Non-Local Fluctuations in
Low-Dimensional Fermion Systems -- One-Dimensional Electron-Phonon Systems: Mott- Versus Peierls-Insulators -- VI Geophysics -- 3-D Seismic Wave Propagation on a Global and Regional Scale: Earthquakes, Fault Zones, Volcanoes -- VII
Fundamental Physics -- Simulation of QCD with Dynamical Quarks -- Quantum Chromodynamics with Chiral Quarks -- Three-Nucleon Force in the4He Scattering System -- Simulations of the Local Universe -- The Free Electron Maser in Pulsar
Magnetospheres -- VIII Computer Science -- Pseudo-Vectorization and RISC Optimization Techniques for the Hitachi SR8000 Architecture -- Automatic Performance Analysis on Hitachi SR8000 -- Adapting PAxML to the Hitachi SR8000-F1
Supercomputer -- Load Balancing for Spatial-Grid-Based Parallel Numeric Simulations on Clusters of SMPs — A Case Study from an Industrial CFD Simulation -- Scientific Progress in the Par-EXPDE-Project -- gridlib — A Parallel,
Object-Oriented Framework for Hierarchical-Hybrid Grid Structures in Technical Simulation and Scientific Visualization
ISBN:9783642555268
Series:eBooks
Series:SpringerLink (Online service)
Series:Springer eBooks
Keywords: Mathematics , Chemoinformatics , Numerical analysis , Computer mathematics , Physics , Complexity, Computational , Mathematics , Computational Mathematics and Numerical Analysis , Mathematical Methods in Physics , Computer Applications in Chemistry , Numeric Computing , Complexity , Numerical and Computational Physics
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Call number:SPRINGER-2003-9783540449430:ONLINE Show nearby items on shelf
Title:Statistical Mechanics of Complex Networks
Author(s):
Date:2003
Size:1 online resource (206 p.)
Note:10.1007/b12331
Contents:Rate Equations Approach for Growing Networks -- Directed and Non-Directed Scale-Free Networks -- Mixing Patterns and Community Structure in Networks -- Effect of Accelerated Growth on Networks Dynamics -- Optimization in Complex
Networks -- Epidemic Spreading in Complex Networks With Degree Correlations -- Food Web Structure and the Evolution of Complex Networks -- Social Networks: From Sexual Networks to Threatened Networks -- Search and Congestion in Complex
Networks -- Membrane Clusters of Ion Channels
ISBN:9783540449430
Series:eBooks
Series:SpringerLink (Online service)
Series:Springer eBooks
Series:Lecture Notes in Physics: 625
Keywords: Physics , Applied mathematics , Engineering mathematics , Biophysics , Biological physics , Statistics , Social sciences , Physics , Theoretical, Mathematical and Computational Physics , Applications of Mathematics , Biophysics and Biological Physics , Statistics for Engineering, Physics, Computer Science, Chemistry and Earth Scien , Social Sciences, general
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Call number:SPRINGER-2003-9783540370727:ONLINE Show nearby items on shelf
Title:A Primer in Density Functional Theory
Author(s):
Date:2003
Size:1 online resource (258 p.)
Note:10.1007/3-540-37072-2
Contents:Density Functionals for Non-relativistic Coulomb Systems in the New Century -- Orbital-Dependent Functionals for the Exchange-Correlation Energy: A Third Generation of Density Functionals -- Relativistic Density Functional Theory --
Time-Dependent Density Functional Theory -- Density Functional Theories and Self-energy Approaches -- A Tutorial on Density Functional Theory
ISBN:9783540370727
Series:eBooks
Series:SpringerLink (Online service)
Series:Springer eBooks
Series:Lecture Notes in Physics: 620
Keywords: Physics , Chemistry, Physical and theoretical , Quantum physics , Atomic structure , Molecular structure , Spectra , Condensed matter , Physics , Theoretical, Mathematical and Computational Physics , Theoretical and Computational Chemistry , Quantum Physics , Atomic/Molecular Structure and Spectra , Condensed Matter Physics
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Call number:SPRINGER-2003-9783540364092:ONLINE Show nearby items on shelf
Title:The Diffuse Interface Approach in Materials Science Thermodynamic Concepts and Applications of Phase-Field Models
Author(s): Heike Emmerich
Date:2003
Size:1 online resource (180 p.)
Note:10.1007/3-540-36409-9
Contents:What Is an Interface? Interfaces in Materials Science and Beyond -- Equilibrium Thermodynamics of Multiphase Systems: Thermodynamic Potentials and Phase Diagrams -- Thermodynamic Concepts of Phase-Field Modeling -- Asymptotic Analysis
-- Application of Diffuse Interface Modeling to Hydrodynamically Driven Growth -- Application to Epitaxial Growth Involving Elasticity -- Conclusions and Perspectives
ISBN:9783540364092
Series:eBooks
Series:SpringerLink (Online service)
Series:Springer eBooks
Series:Lecture Notes in Physics, Monographs: 73
Keywords: Physics , Chemistry, Physical and theoretical , Computer mathematics , Thermodynamics , Condensed matter , Materials science , Physics , Condensed Matter Physics , Theoretical and Computational Chemistry , Characterization and Evaluation of Materials , Computational Science and Engineering , Thermodynamics
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Call number:SPRINGER-2003-9781461501992:ONLINE Show nearby items on shelf
Title:Developments in Mathematical and Experimental Physics Volume C: Hydrodynamics and Dynamical Systems
Author(s):
Date:2003
Size:1 online resource (222 p.)
Note:10.1007/978-1-4615-0199-2
Contents:I Hydrodynamics -- Some Thoughts About Hydrodynamics -- Geometry of Irreversibility -- 3 Geometrization of Irreversibility -- Invariance Principle to Decide Between Micro and Macro Computations -- Hydrodynamics, Grad's Thirteen
Moments Method and the Structure of Shock Waves -- The Oseen's Spiral Flow -- II Dynamical Systems -- Singularities and Chaos in Classical and Celestial Mechanics -- Regularization of Binary Collisions for Quasihomogeneous Potentials
-- Symmetric Periodic Orbits for the Collinear 3-body Problem Via the Continuation Method -- Averaging in Hamiltonian Systems with Slowly Varying Parameters -- Exact and Adiabatic Invariant for the Time-Dependent Harmonic Oscillators
-- III Other Topics -- Microquasars: Recent Developments -- We and the Quantum World -- Violate Superluminal Signals Causality? -- DNA Evolution as a Dynamical System: A Physicalist Perspective -- Leopoldo García-Colín Scherer: Brief
Biography -- Prof. Nicholas G. van Kampen: Brief Biography
ISBN:9781461501992
Series:eBooks
Series:SpringerLink (Online service)
Series:Springer eBooks
Keywords: Physics , Physical chemistry , Condensed matter , Biophysics , Biological physics , Statistical physics , Dynamical systems , Physics , Statistical Physics, Dynamical Systems and Complexity , Condensed Matter Physics , Physical Chemistry , Biophysics and Biological Physics , Theoretical, Mathematical and Computational Physics
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Call number:SPRINGER-2003-9780387217055:ONLINE Show nearby items on shelf
Title:Heterogeneous Materials I Linear Transport and Optical Properties
Author(s): Muhammad Sahimi
Date:2003
Size:1 online resource (692 p.)
Note:10.1007/b97507
Contents:Characterization and Modelling of the Morphology -- Characterization of Connectivity and Clustering -- Characterization and Modelling of the Morphology -- Linear Transport and Optical Properties -- Effective Conductivity, Dielectric
Constant and Optical Properties: The Continuum Approach -- Effective Conductivity and Dielectric Constant: The Discrete Approach -- Frequency-Dependent Properties: The Discrete Approach -- Rigidity and Elastic Properties: The Continuum
Approach -- Rigidity and Elastic Properties: The Discrete Approach -- Rigidity and Elastic Properties of Network Glasses, Prolymers, and Composite Solids: the Discrete Approach
ISBN:9780387217055
Series:eBooks
Series:SpringerLink (Online service)
Series:Springer eBooks
Series:Interdisciplinary Applied Mathematics: 22
Keywords: Mathematics , Chemistry, Physical and theoretical , Applied mathematics , Engineering mathematics , Continuum physics , Statistical physics , Dynamical systems , Materials science , Mathematics , Applications of Mathematics , Theoretical and Computational Chemistry , Characterization and Evaluation of Materials , Statistical Physics, Dynamical Systems and Complexity , Classical Continuum Physics
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Call number:SPRINGER-2003-9780387217048:ONLINE Show nearby items on shelf
Title:Heterogeneous Materials Nonlinear and Breakdown Properties and Atomistic Modeling
Author(s): Muhammad Sahimi
Date:2003
Size:1 online resource (638 p.)
Note:10.1007/b97505
Contents:Volume II -- Volume II -- Characterization of Surface Morphology -- Characterization of Surface Morphology -- Effective Properties of Heterogeneous Materials with Constitutive Nonlinearities -- Nonlinear Conductivity and Dielectric
Constant: The Continuum Approach -- Nonlinear Conductivity, Dielectric Constant, and Optical Properties: The Discrete Approach -- Nonlinear Rigidity and Elastic Moduli: The Continuum Approach -- Fracture and Breakdown of Heterogeneous
Materials -- Electrical and Dielectric Breakdown: The Discrete Approach -- Fracture: Basic Concepts and Experimental Techniques -- Brittle Fracture: The Continuum Approach -- Brittle Fracture: The Discrete Approach -- Atomistic and
Multiscale Modeling of Materials -- Atomistic Modeling of Materials -- Multiscale Modeling of Materials: Joining Atomistic Models with Continuum Mechanics
ISBN:9780387217048
Series:eBooks
Series:SpringerLink (Online service)
Series:Springer eBooks
Series:Interdisciplinary Applied Mathematics: 23
Keywords: Mathematics , Chemistry, Physical and theoretical , Applied mathematics , Engineering mathematics , Continuum physics , Statistical physics , Dynamical systems , Materials science , Mathematics , Applications of Mathematics , Theoretical and Computational Chemistry , Characterization and Evaluation of Materials , Statistical Physics, Dynamical Systems and Complexity , Classical Continuum Physics
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Call number:SPRINGER-2002-9783662048405:ONLINE Show nearby items on shelf
Title:Quantum Mechanics
Author(s): Franz Schwabl
Date:2002
Edition:Third Edition
Size:1 online resource (420 p.)
Note:10.1007/978-3-662-04840-5
Contents:1. Historical and Experimental Foundations -- 2. The Wave Function and the Schrödinger Equation -- 3. One-Dimensional Problems -- 4. The Uncertainty Relation -- 5. Angular Momentum -- 6. The Central Potential I -- 7. Motion in an
Electromagnetic Field -- 8. Operators, Matrices, State Vectors -- 9. Spin -- 10. Addition of Angular Momenta -- 11. Approximation Methods for Stationary States -- 12. Relativistic Corrections -- 13. Several-Electron Atoms -- 14. The
Zeeman Effect and the Stark Effect -- 15. Molecules -- 16. Time Dependent Phenomena -- 17. The Central Potential II -- 18. Scattering Theory -- 19. Supersymmetric Quantum Theory -- 20. State and Measurement in Quantum Mechanics -- A.
Mathematical Tools for the Solution of Linear Differential Equations -- A.1 The Fourier Transform -- A.2 The Delta Function and Distributions -- A.3 Green’s Functions -- B. Canonical and Kinetic Momentum -- C. Algebraic Determination
of the Orbital Angular Momentum Eigenfunctions -- D. The Periodic Table and Important Physical Quantities
ISBN:9783662048405
Series:eBooks
Series:SpringerLink (Online service)
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Keywords: Physics , Chemistry, Physical and theoretical , Quantum physics , Statistical physics , Dynamical systems , Physics , Quantum Physics , Statistical Physics, Dynamical Systems and Complexity , Theoretical and Computational Chemistry
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Call number:SPRINGER-2002-9783662047637:ONLINE Show nearby items on shelf
Title:Statistical Physics An Advanced Approach with Applications Web-enhanced with Problems and Solutions
Author(s): Josef Honerkamp
Date:2002
Size:1 online resource (517 p.)
Note:10.1007/978-3-662-04763-7
Contents:1 Statistical Physics: Is More than Statistical Mechanics -- I Modeling of Statistical Systems -- 2 Random Variables: Fundamentals of Probability Theory and Statistics -- 3 Random Variables in State Space: Classical Statistical
Mechanics of Fluids -- 4 Random Fields: Textures and Classical Statistical Mechanics of Spin Systems -- 5 Time-Dependent Random Variables: Classical Stochastic Processes -- 6 Quantum Random Systems -- 7 Changes of External Conditions
-- II Analysis of Statistical Systems -- 8 Estimation of Parameters -- 9 Signal Analysis: Estimation of Spectra -- 10 Estimators Based on a Probability Distribution for the Parameters -- 11 Identification of Stochastic Models from
Observations -- 12 Estimating the Parameters of a Hidden Stochastic Model -- 13 Statistical Tests and Classification Methods -- Appendix: Random Number Generation for Simulating Realizations of Random Variables -- Problems -- Hints and
Solutions -- References
ISBN:9783662047637
Series:eBooks
Series:SpringerLink (Online service)
Series:Springer eBooks
Keywords: Physics , Condensed matter , Statistical physics , Dynamical systems , Statistics , Physics , Statistical Physics, Dynamical Systems and Complexity , Theoretical, Mathematical and Computational Physics , Condensed Matter Physics , Statistics for Engineering, Physics, Computer Science, Chemistry and Earth Scien
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Call number:SPRINGER-2002-9783662047507:ONLINE Show nearby items on shelf
Title:Quantum Mechanics From Basic Principles to Numerical Methods and Applications
Author(s): Louis Marchildon
Date:2002
Size:1 online resource (560 p.)
Note:10.1007/978-3-662-04750-7
Contents:1 A Crisis in Classical Physics -- 2 Finite-Dimensional Vector Spaces -- 3 Finite-Dimensional State Spaces -- 4 Spin and Magnetic Moment -- 5 Particle in One Dimension -- 6 The Interpretation of Quantum Mechanics -- 7 Particle in
Three Dimensions -- 8 Numerical Solution -- 9 The Central-Field Model -- 10 Stationary Perturbations -- 11 Stationary Scattering States -- 12 The Density Operator -- 13 Symmetry of the Hamiltonian -- 14 Rotations and Angular Momentum
-- 15 Dirac’s Relativistic Equation -- 16 The Path Integral -- 17 Atomic Orbitals -- 18 Atomic Terms and Multiplets -- 19 Semiclassical Radiation Theory -- 20 Molecules -- 21 Long-Distance Correlations and Measurement -- Answers to
Selected Exercises -- References
ISBN:9783662047507
Series:eBooks
Series:SpringerLink (Online service)
Series:Springer eBooks
Keywords: Physics , Chemistry, Physical and theoretical , Quantum physics , Elementary particles (Physics) , Quantum field theory , Atomic structure , Molecular structure , Spectra , Physics , Elementary Particles, Quantum Field Theory , Quantum Physics , Atomic/Molecular Structure and Spectra , Theoretical and Computational Chemistry
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Call number:SPRINGER-2002-9783662046852:ONLINE Show nearby items on shelf
Title:Monte Carlo Simulation in Statistical Physics An Introduction
Author(s): Kurt Binder
Date:2002
Edition:Fourth, Enlarged Edition
Size:1 online resource (183 p.)
Note:10.1007/978-3-662-04685-2
Contents:1. Introduction: Purpose and Scope of this Volume, and Some General Comments -- 2. Theoretical Foundations of the Monte Carlo Method and Its Applications in Statistical Physics -- 3. Guide to Practical Work with the Monte Carlo Method
-- 4. Some Important Recent Developments of the Monte Carlo Methodology -- 5. Quantum Monte Carlo Simulations: An Introduction -- A.1 Algorithm for the Random Walk Problem -- A.2 Algorithm for Cluster Identification -- References
ISBN:9783662046852
Series:eBooks
Series:SpringerLink (Online service)
Series:Springer eBooks
Series:Springer Series in Solid-State Sciences: 80
Keywords: Physics , Physical chemistry , Thermodynamics , Condensed matter , Statistical physics , Dynamical systems , Physics , Mathematical Methods in Physics , Numerical and Computational Physics , Thermodynamics , Statistical Physics, Dynamical Systems and Complexity , Condensed Matter Physics , Physical Chemistry
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Call number:SPRINGER-2002-9783540458371:ONLINE Show nearby items on shelf
Title:Bridging Time Scales: Molecular Simulations for the Next Decade
Author(s):
Date:2002
Size:1 online resource (502 p.)
Note:10.1007/3-540-45837-9
Contents:Protein Folding -- Sidechain Dynamics and Protein Folding -- Applications of Statistical Mechanics to Biological Systems -- A Coarse Grain Model for Lipid Monolayer and Bilayer Studies -- Polymer Structure and Dynamics --
Variable-Connectivity Monte Carlo Algorithms for the Atomistic Simulation of Long-Chain Polymer Systems -- Bridging the Time Scale Gap: How Does Foldable Polymer Navigate Its Conformation Space? -- Multiscale Computer Simulations for
Polymeric Materials in Bulk and Near Surfaces -- Complex and Mesoscopic Fluids -- Effective Interactions for Large-Scale Simulations of Complex Fluids -- Slow Dynamics and Reactivity -- Simulation of Models for the Glass Transition: Is
There Progress? -- Lattice Models -- Monte Carlo Methods for Bridging the Timescale Gap -- Go-with-the-Flow Lattice Boltzmann Methods for Tracer Dynamics -- Multiscale Modelling in Materials Science -- Atomistic Simulations of Solid
Friction -- Methodological Developments in MD and MC -- Bridging the Time Scale Gap with Transition Path Sampling -- The Stochastic Difference Equation as a Tool to Compute Long Time Dynamics -- Numerical Simulations of Molecular
Systems with Long Range Interactions -- Perpectives in ab initio MD -- New Developments in Plane-Wave Based ab initio Calculations -- Time and Length Scales in ab initio Molecular Dynamics -- Quantum Simulations -- A Statistical
Mechanical Theory of Quantum Dynamics in Classical Environments -- The Coupled Electronic-Ionic Monte Carlo Simulation Method
ISBN:9783540458371
Series:eBooks
Series:SpringerLink (Online service)
Series:Springer eBooks
Series:Lecture Notes in Physics: 605
Keywords: Physics , Physical chemistry , Polymers , Chemistry, Physical and theoretical , Amorphous substances , Complex fluids , Biophysics , Biological physics , Physics , Theoretical, Mathematical and Computational Physics , Soft and Granular Matter, Complex Fluids and Microfluidics , Biophysics and Biological Physics , Theoretical and Computational Chemistry , Polymer Sciences , Physical Chemistry
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Call number:SPRINGER-2002-9783540457824:ONLINE Show nearby items on shelf
Title:Morphology of Condensed Matter Physics and Geometry of Spatially Complex Systems
Author(s):
Date:2002
Size:1 online resource (5 p.)
Note:10.1007/3-540-45782-8
Contents:Complex Structured Condensed Matter -- Spatial Statistics and Micromechanics of Materials -- Characterising the Morphology of Disordered Materials -- Topological Characterization of Porous Media -- Nanotomography: Real-Space Volume
Imaging with Scanning Probe Microscopy -- Bicontinuous Surfaces in Self-assembling Amphiphilic Systems -- Morphology of Langmuir Monolayer Phases -- Spatial Order in Liquid Crystals: Computer Simulations of Systems of Ellipsoids --
Two-Dimensional Fluid Foams at Equilibrium -- Spatial Statistics and Morphology -- Morphological Texture Analysis: An Introduction -- Vector- and Tensor-Valued Descriptors for Spatial Patterns -- Computational Topology for Point Data:
Betti Numbers of ?-Shapes -- The Euler Number of Discretized Sets — On the Choice of Adjacency in Homogeneous Lattices -- Shape Statistics for Random Domains and Particles -- A Survey on Contact Distributions -- Mark Correlations:
Relating Physical Properties to Spatial Distributions -- Spatial Jump Processes and Perfect Simulation -- Statistics for Non-sparse Spatially Homogeneous Gibbs Point Processes -- Spatial Statistics of a Turbulent Random Multiplicative
Branching Process
ISBN:9783540457824
Series:eBooks
Series:SpringerLink (Online service)
Series:Springer eBooks
Series:Lecture Notes in Physics: 600
Keywords: Physics , Topology , Condensed matter , Statistical physics , Dynamical systems , Statistics , Mechanics , Mechanics, Applied , Physics , Condensed Matter Physics , Statistical Physics, Dynamical Systems and Complexity , Theoretical and Applied Mechanics , Statistics for Engineering, Physics, Computer Science, Chemistry and Earth Scien , Topology
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